V016-6467 Screening compound: (2E)-N-(3-{[(cyclopropylmethyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide

V016-6467 Screening compound: (2E)-N-(3-{[(cyclopropylmethyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide
V016-6467 Screening compound: (2E)-N-(3-{[(cyclopropylmethyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6467
(2E)-N-(3-{[(cyclopropylmethyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide

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

V016-6467

Molecular Formula

C29H30N2O2 (C29 H30 N2 O2)

Compound Name

(2E)-N-(3-{[(cyclopropylmethyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-(3-{[(cyclopropylmethyl)carbamoyl]methyl}phenyl)-N-[(4-methylphenyl)methyl]-3-phenylprop-2-enamide

SMILES

Cc1ccc(CN(C(/C=C/c2ccccc2)=O)c2cc(CC(NCC3CC3)=O)ccc2)cc1

InChI

InChI=1S/C29H30N2O2/c1-22-10-12-25(13-11-22)21-31(29(33)17-16-23-6-3-2-4-7-23)27-9-5-8-26(18-27)19-28(32)30-20-24-14-15-24/h2-13,16-18,24H,14-15,19-21H2,1H3,(H,30,32)

InChI Key

NVFURTNCAKYHDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.29

Polar Surface Area

39.785

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.14

V016-6467 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-6467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6467?
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What is the minimum amount of V016-6467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6467
  • 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 V016-6467 available by request