V027-5356 Screening compound: 3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(3-methylphenyl)propanamide

V027-5356 Screening compound: 3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(3-methylphenyl)propanamide
V027-5356 Screening compound: 3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(3-methylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-5356
3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(3-methylphenyl)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

V027-5356

Molecular Formula

C24H22ClN3O (C24 H22 ClN3 O)

Compound Name

3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-(3-methylphenyl)propanamide

IUPAC name

3-{2-[(2-chlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-(3-methylphenyl)propanamide

SMILES

Cc1cccc(NC(CCn2c(cccc3)c3nc2Cc(cccc2)c2Cl)=O)c1

InChI

InChI=1S/C24H22ClN3O/c1-17-7-6-9-19(15-17)26-24(29)13-14-28-22-12-5-4-11-21(22)27-23(28)16-18-8-2-3-10-20(18)25/h2-12,15H,13-14,16H2,1H3,(H,26,29)

InChI Key

QTAPPVFHULKYLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781878

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

403.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.778

Distribution Coefficient, logD

5.777

Water Solubility, LogSw

-5.89

Polar Surface Area

33.999

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V027-5356 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 V027-5356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-5356?
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What is the minimum amount of V027-5356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-5356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-5356
  • 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 V027-5356 available by request