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F-Fragments Library

83 Cited Publications
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Based on 83 publication(s) in Google Scholar

19F-NMR has proved to be a detection mode in fragment-based drug discovery (FBDD) for studies of protein structure and interactions. 19F shows high sensitivity for NMR detection, and the exquisite sensitivity of 19F chemical shifts and linewidths to ligand binding all make it a valuable approach in FBDD.F (Fluorine) -Fragments can be used for 19F-NMR detection after binding to target proteins, and can be used as an effective 19F-NMR tool for FBDD.

MCE designs a unique collection of 5,160 F-fragments, 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 F-fragments library is an important source of lead-like drugs.

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Description & Advantages

•   A unique collection of 5,160 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 [MW average]
cLogP ≤3.0 [cLogP average]
H-donors ≤3.0 [H-donors average]
H-acceptors ≤3.0 [H-acceptors average]

Product Details

Formulation

A collection of 5,160 fragment compounds supplied as pre-dissolved Solutions or Solid

Solution: 5,160 compounds supplied in 10 mM solution.

Container

96- or 384-well Plate with Peelable Foil Seal

Storage
-80°C
Shipping
Blue ice or dry ice

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