フラグメント化合物ライブラリ - Fragment Library

Cat. No.: HY-L032

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Fragment-based drug discovery (FBDD) is well suited for discovering both drug leads and chemical probes of protein function; it can cover broad swaths of chemical space and allows the use of creative chemistry. Fragment-based drug discovery is well-established in industry and has resulted in a variety of drugs entering clinical trials, with two, vemurafenib and venetoclax, already approved. FBDD also has key attractions for academia. Notably, it is able to tackle difficult or novel targets for which no chemical matter may be found in existing HTS collections.

MCE designs a unique collection of 23,342 fragment compounds, all of which obey a heuristic rule called the “Rule of Three (RO3) ”, in which molecular weight ≤300 Da, the number of hydrogen bond donors (H-donors) ≤3, the number of hydrogen bond acceptors (H-acceptors) is ≤3 and cLogP is ≤3. This library is an important source of lead-like drugs.

化合物スクリーニングライブラリ

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Product Details

Description & Advantages

• A unique collection of 23,342 fragment compounds for traditional lead identification via high-throughput screening (HTS).

• The compounds follow the Rule of Three.

• A useful tool for the fragment-based approach to drug discovery (FBDD).

• More detailed compound information with structure, Molecular Weight, cLogP, H-donor and H-acceptor number.

• NMR and HPLC validated ensure high purity.

• All compounds are in stock and continuously updated.

Parameter	Range	Average Value
Molecular Weight	≤300	181.43
cLogP	≤3.0	1.6105
H-donors	≤3.0	2.07
H-acceptors	≤3.0	0.78

Product Details

Formulation:

A collection of 23,342 fragment compounds supplied as pre-dissolved Solutions or Solid
Solution: 23,342 compounds supplied in 10 mM solution.

Layout:

96-well storage tube or 96-well plate: 1st and 12th column are left empty.
384-well plate: the first two columns and the last two columns are left empty.
Compounds with different concentrations or dissolved in different solvents will be put on separate plates. This way of layout may increase the number of plates because there could be three solvents and three concentrations.
If you have other requirements, please let us know.

Container:

96- or 384-well Plate with Peelable Foil Seal

Storage:

-80°C

Shipping:

Blue ice or dry ice

Documentation

PDF

Excel

Library Handling Instructions (351 KB)

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Compound Customization

Specific Compounds
Quantities
Plate Map
Concentration
Form (Solid or Solution)
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