F-Fragments Library

Cat. No.: HY-L152

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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 5,017 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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Composition

Description & Advantages

• A unique collection of 5,017 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 5,017 fragment compounds supplied as pre-dissolved Solutions or Solid
Solution: 5,017 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

Composition

Biochemical Assay Reagents (100)

Fluorescent Dye (3)

Amino Acid Derivatives (2)

Antibiotic (2)

Bacterial (2)

ADC Cytotoxin (1)

Cytochrome P450 (1)

Drug Metabolite (1)

Fungal (1)

Mitochondrial Metabolism (1)

NO Synthase (1)

Topoisomerase (1)

Others (9)

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Plate Map
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