Enamine - smart chemistry solutions

REAL DataBase
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The ability of Enamine to synthesize a large number of screening compounds with high synthesis success rate has formed the concept of a validated chemistry space of Enamine. This concept was the basis for REAL DataBase creation. We conducted thousands of experiments, rigorously choosing appropriate building blocks and reactions with the highest yields. Then, over 40 liquid-phase reactions were optimized to yield individual products having purity over 90% which is sufficient for most applications. Currently our REAL DataBase contains over 2·107 structures of various compounds with synthesis success rate higher than 60% (typically 70-80%). Standard production cycle takes 2-3 weeks allowing delivery of compounds in 4 weeks. Sometimes it is necessary to run two or three iterative production cycles to achieve higher feasibility on a selected set of structures. For compound libraries of small size (under 50 structures) an accelerated workflow has been implemented in 2011 aimed to decrease overall lead time to 15-20 days.

The REAL DataBase is highly dynamic. New reactions and building blocks are continuously introduced into the production scheme, resulting in constant growth of the database. At the same time, some structures and sub-libraries are excluded because of an insufficient success rate of their synthesis. That is why it is very important to make a selection from the latest version of the REAL DataBase. On your request, we will prepare a set of compounds which will fit your requirements and selection capabilities. Alternatively, you can download complete current version of REAL DataBase.

There are following choices:

DatabaseNumber of compoundsSelection criteria
Full REAL DataBase3·107MW 200 … 600
QlogP ≤ 6
Lipinski's rule selection7 000 000MW 200 … 500
QlogP ≤ 5
H-bond Donors ≤ 5
H-bond Acceptors ≤ 10
Drug-like selection4 000 000MW 200 … 500
QlogP ≤ 5
H-bond Donors ≤ 5
H-bond Acceptors ≤ 10
RotBonds ≤ 10
FISA 0 … 170 A2
Caco-2 > 50 nm/sec
logS -6 … 0.5
Diversity selection~ 100 000 - 1 000 000
(the size depends
on your request)
Same as previous,
plus diversity sorting by CheD

Other selections can be made according to your specific filtering criteria (MW, scaffold type, any ADME parameter, etc.) as well.

Still have questions about REAL DataBase? Please proceed to the FAQ section.

* PDF file posted with permission of TEKNOSCIENZE Srl >>>

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