V021-4710 Screening compound: N-(3-{[(3-methylphenyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide

V021-4710 Screening compound: N-(3-{[(3-methylphenyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
V021-4710 Screening compound: N-(3-{[(3-methylphenyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4710
N-(3-{[(3-methylphenyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide

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

V021-4710

Molecular Formula

C27H28N2O2 (C27 H28 N2 O2)

Compound Name

N-(3-{[(3-methylphenyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide

IUPAC name

N-(3-{[(3-methylphenyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide

SMILES

Cc1ccc(CN(C(C2CC2)=O)c2cc(CC(Nc3cc(C)ccc3)=O)ccc2)cc1

InChI

InChI=1S/C27H28N2O2/c1-19-9-11-21(12-10-19)18-29(27(31)23-13-14-23)25-8-4-6-22(16-25)17-26(30)28-24-7-3-5-20(2)15-24/h3-12,15-16,23H,13-14,17-18H2,1-2H3,(H,28,30)

InChI Key

JDYJDZDPADNJKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.544

Distribution Coefficient, logD

5.544

Water Solubility, LogSw

-5.27

Polar Surface Area

38.990

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V021-4710 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 V021-4710 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4710?
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What is the minimum amount of V021-4710 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4710
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4710
  • 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 V021-4710 available by request