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Delivering molecules for research
15
Million Molecules available to order
8 Million Molecules available on stock
Managed
from
enquiry
to
delivery
From
single
molecules
to screening libraries of
thousands
of
molecules
AKosSamples
has built the trust of hundreds of customers, from multinational
pharmaceutical companies to contract and university research labs
across the globe. With over ten years of experience of supplying
research molecules,
AKosSamples
has the knowledge, experience and systems to take care of the
complexities of sourcing research molecules for you.
The
AKosSamples
custom synthesis
service is able to rapidly tender requests across its growing
network of chemistry laboratories to provide research molecules
not otherwise available.
Full
Structure Search in
iScienceSearch
You can do a full structure search using AKosSamples
using
iScienceSearch.
You can type a name in the text box, and hope that the system finds
a structure, or being on the safe side, use the button "Find
structure for name" on the top left to create a structure from a
name. You
can do a substructure search using
PubChem
as source. You can limit
the list to AKosSamples by choosing in the "Advanced Search" in the
PubChem result AKos Cons... as source - it is in pull down option at
the bottom.
Use
iScienceSearch to search compounds on the Internet by
structure. Sometimes the situation arises that you have the AKos Number, but
not the structure. An easy way is to search for the AKos Number in PubChem,
http://pubchem.ncbi.nlm.nih.gov/search/
or use the test version:http://akosservice.de/akossamplesservice/php/akossamplesretrievalTest4.php?IDNUMBERS=AKOS015926121
where you replace the last 9 digits. |
Contact Information for compound
requests:
Greta Auf der Maur
Tel. +49 7621 162 2778
Fax +49 7621 162 2779
Email:

AKos Consulting & Solutions Deutschland GmbH (AKos GmbH)
Austr. 26
D-78585 Steinen
Germany
Tel. +49 7627 970068
Fax: +49 7627 970067
Mobil: +49 171 526 9392
Email:

Please,
use the keyword "Beilstein" in the subject (reference) line in the email
to make sure that your email does not end up in a spam folder.
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Search for compounds using
iOS and Android devices using the app:
MOBILE
REAGENTS
see
www.mobilereagents.com
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Estimated prices:
The pricing depends very
heavily on commission and shipping charges per order. The prices given
are estimates for an order of 3 compounds and a minimum order of 300
Euro.
Larger orders
and large quantities (> 250 mg) will be priced
separately.
Delivery time: Compounds that are on stock can be delivered
in less than 2 weeks after we have received your order. Even if
the compounds are on stock it takes some time to get them
through custom procedures, which are sometimes time consuming.
This is the reason that it takes sometimes two weeks. |
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The
AKosSamples
Catalogue: download below as compressed SDFiles:
Click the file name
to begin download, or right click and select "Save
Target As" to download the installation file.
For
ftp download configure a ftp
client like shown below.
You can download the zip program from
http://www.7-zip.org/
Size of the database: 5.4 million
compounds on stock, 7.8 million compounds in total. The
compounds that are not on stock are predominantly compounds that
were synthesized earlier, but are not available any longer.
We asked our chemists that do
custom synthesis to add a few virtual compounds that describe
there expertise. These are compounds that can be made with high
confidence. |
Special
Offer:
Several
of our suppliers offer larger collections for a very
attractive price.
We supply
5 mg of dry powders in vials or well-plates. Shipping cost
is 150 € to Europe and 200 € to USA, of course, in the case
of big order we'll send free of charge.
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100-999 |
Compounds |
40,50 € |
per compound |
|
1000- 4999 |
Compounds |
27,00 € |
per compound |
| 5000 and more |
Compounds |
20,25 € |
per compound |
The
files contain ca. 12000 structures. We also extracted the
scaffolds using the KNIME Murcko node. We have added the
PASS parameters to the download files. This enables you, not
only to select your molecules by structure, but also by
estimated biological effects (toxicities, gene expressions,
etc.)
You can download the files
either by clicking on the link, or using the ftp download,
see below. |
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SDFile Example::
AKos_Samples_small_example.sdf
Symyx 07291014562D 1 1.00000 0.00000 0
10 9 0 0 0 999 V2000
-0.4071 -0.1575 0.0000 C 0 0 0 0 0 0 0 0 0
0.3054 0.2550 0.0000 N 0 0 0 0 0 0 0 0 0
-0.4071 -0.9908 0.0000 O 0 0 0 0 0 0 0 0 0
1.0179 -0.1575 0.0000 C 0 0 3 0 0 0 0 0 0
-1.1196 0.2467 0.0000 C 0 0 3 0 0 0 0 0 0
-1.8321 -0.1575 0.0000 Br 0 0 0 0 0 0 0 0 0
1.7387 0.2467 0.0000 C 0 0 0 0 0 0 0 0 0
1.0179 -0.9908 0.0000 C 0 0 0 0 0 0 0 0 0
0.8054 0.6342 0.0000 C 0 0 0 0 0 0 0 0 0
-1.1196 1.0717 0.0000 C 0 0 0 0 0 0 0 0 0
2 1 1 0 0 0
3 1 2 0 0 0
4 2 1 0 0 0
5 1 1 0 0 0
5 6 1 4 0 0
7 4 1 0 0 0
8 4 1 0 0 0
9 4 1 0 0 0
10 5 1 0 0 0
M END
> <AKOS_NUMBER>
AKOS000100100
> <MOLWEIGHT>
208.09616
> <MOLFORMULA>
C7 H14 Br N O
> <INCHIKEY>
ASGVEEBOYNWWJR-UHFFFAOYSA-N
> <INCHI>
InChI=1S/C7H14BrNO/c1-5(8)6(10)9-7(2,3)4/h5H,1-4H3,(H,9,10)
> <SMILES>
CC(C(=O)NC(C)(C)C)Br
> <MOLECULE_URL>
http://akosservice.de/akossamplesservice/php/akossamplesretrieval.php?IDNUMBERS=AKOS000100100
> <CATALOGUE_INFORMATION>
AKOS000100100 1G (Stock Building Block) 470 EUR
AKOS000100100 2G (Stock Building Block) 740 EUR
AKOS000100100 3G (Stock Building Block) 940 EUR
AKOS000100100 5G (Stock Building Block) 1220 EUR
AKOS000100100 7G (Stock Building Block) 1300 EUR
AKOS000100100 10G (Stock Building Block) 1500 EUR
AKOS000100100 12G (Stock Building Block) 1560 EUR
AKOS000100100 25G (Stock Building Block) 2340 EUR
AKOS000100100 (Stock Screening Sample)
AKOS000100100 (Stock Building Block)
AKOS000100100 (Non Stock Can be Resynthesised)
AKOS000100100 (Non Stock Custom Synthesis)
$$$$ |
If you
wish to provide a link from an AKOS_NUMBER to our molecule url from
your database you can create a view using the SQL below. This will
provide the latest sample type data (Building Block, Screening etc.)
and price information if available directly from our sample
database.
This
SQL assumes that your molecule table is called AKOS_MOLTABLE which
contains a column name AKOS_NUMBER, you should change these
accordingly. The statement was created for and tested on an ORACLE
database.
CREATE OR REPLACE FORCE VIEW "AKOS_VIEW" ("AKOS_NUMBER", "MOL_URL")
AS
SELECT AKOS_NUMBER, 'http://akosservice.de/akossamplesservice/php/akossamplesretrieval.php?IDNUMBERS='
|| AKOS_NUMBER
FROM AKOS_MOLTABLE
ORDER BY AKOS_NUMBER;
SHOW ERRORS; |
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InChI:
We added the InChI name(http://www.iupac.org/inchi/)
and key (http://www.iupac.org/inchi/release102.html)
to
the SDFiles. The InChI Name was developed first, but this can be
quite long. The InChI code was developed so search engines can
index it. This is shorter and also unique.
We also have in the InChI code fairly short
unique description of the structure. You can use
Accelrys Draw
(free-of-charge for academia and private use) to generate
structures from InChI names and vice versa.
We were
one of the first suppliers using this
code. We have acquired the software from Xemistry GmbH. This
code is very good and handles complex stereochemistry.
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Download by
ftp
We recommend that you use a ftp client like
FileZilla (http://filezilla-project.org/).
Host = 45629.webhosting12.1blu.de
User = ftp45629-ftp
Password = akosgmbh
In the ftp directory who will find all our
compounds in several SDFiles. If you want to download only those files that
contain compounds that are with very high probability on stock, go to the
CAS subdirectory.

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Custom Synthesis:
AKos/A1Synth can synthesize larger amounts of compounds for you
which are no longer in stock (typically> 10g to 1 kg).
Also, you can rent a chemists for a month as a
full term equivalent to synthesize compounds under a secrecy
agreement. |
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Mesoionic Compounds -
SYDNONES AND SYDNONE IMINES in AKos
Samples. |
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Use the program
PASS to predict more than
4'000
biological effects. PASS should be one of your programs used for
in silico screening to filter compounds quickly. PASS calculates also
drug
likeness.
This parameter gives in percentage the probability that this structure is drug like.
Download
PASS demo version |
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The following
compounds are patent protected and cannot be sold. If you have downloaded
these data into your database, please remove these compounds.
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AKos Compound
Name |
AKos Compound # |
Alternate Name |
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1H-Indole,
3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-5-[2-(phenylsulfonyl)ethyl]- |
AKOS005145842 |
Eletriptan |
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1-Piperidinepropanenitrile,
4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-,
(3R,4R)- |
AKOS005258733 |
tofacitinib |
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3-Isoquinolinecarboxamide,
N-(1,1-dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-,
(3S,4aS,8aS)- |
AKOS000280862 |
Nelfinavir
mesolate |
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6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro- |
AKOS005145561 |
Varenicline
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6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-,
(2R,3R)-2,3-dihydroxybutanedioate (1:1) |
AKOS005146509 |
Varenicline
Hydrochloride |
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Varenicline tartrate |
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Butanedioic acid,
2-hydroxy-, (2S)-, compd. with
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
(1:1) |
AKOS005145765 |
Sunitinib Malate
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Hexanoic acid,
3-(aminomethyl)-5-methyl-, (3S)- |
AKOS005145504 |
Pregabalin |
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Methanesulfonamide, N-[4-[2-[methyl[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]- |
AKOS005259921 |
Dofetilide |
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Urea,
N-[4-[[4-(dimethylamino)-1-piperidinyl]carbonyl]phenyl]-N'-[4-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)phenyl]- |
AKOS005766013 |
PF-05212384 |
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Favipiravir |
AKOS005166863 |
CAS No.
259793-96-9 |
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Favipiravir |
AKOS015995178 |
CAS No.
259793-96-9 |
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