V028-4377 Screening compound: 3-[2-(4-fluorobenzyl)-1H-1,3-benzimidazol-1-yl]-N-(2-furylmethyl)propanamide

V028-4377 Screening compound: 3-[2-(4-fluorobenzyl)-1H-1,3-benzimidazol-1-yl]-N-(2-furylmethyl)propanamide
V028-4377 Screening compound: 3-[2-(4-fluorobenzyl)-1H-1,3-benzimidazol-1-yl]-N-(2-furylmethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4377
3-[2-(4-fluorobenzyl)-1H-1,3-benzimidazol-1-yl]-N-(2-furylmethyl)propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V028-4377

Molecular Formula

C22H20FN3O2 (C22 H20 FN3 O2)

Compound Name

3-[2-(4-fluorobenzyl)-1H-1,3-benzimidazol-1-yl]-N-(2-furylmethyl)propanamide

IUPAC name

3-{2-[(4-fluorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-[(furan-2-yl)methyl]propanamide

SMILES

O=C(CCn1c(cccc2)c2nc1Cc(cc1)ccc1F)NCc1ccco1

InChI

InChI=1S/C22H20FN3O2/c23-17-9-7-16(8-10-17)14-21-25-19-5-1-2-6-20(19)26(21)12-11-22(27)24-15-18-4-3-13-28-18/h1-10,13H,11-12,14-15H2,(H,24,27)

InChI Key

PXMKIKUJQLQRJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781607

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.150

Distribution Coefficient, logD

4.148

Water Solubility, LogSw

-4.30

Polar Surface Area

43.070

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

V028-4377 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-4377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4377?
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What is the minimum amount of V028-4377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4377
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V028-4377 available by request