V016-8283 Screening compound: (2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-[4-({[(pyridin-3-yl)methyl]carbamoyl}methyl)phenyl]prop-2-enamide

V016-8283 Screening compound: (2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-[4-({[(pyridin-3-yl)methyl]carbamoyl}methyl)phenyl]prop-2-enamide
V016-8283 Screening compound: (2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-[4-({[(pyridin-3-yl)methyl]carbamoyl}methyl)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8283
(2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-[4-({[(pyridin-3-yl)methyl]carbamoyl}methyl)phenyl]prop-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

V016-8283

Molecular Formula

C31H29N3O2 (C31 H29 N3 O2)

Compound Name

(2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-[4-({[(pyridin-3-yl)methyl]carbamoyl}methyl)phenyl]prop-2-enamide

IUPAC name

(2E)-N-[(3-methylphenyl)methyl]-3-phenyl-N-[4-({[(pyridin-3-yl)methyl]carbamoyl}methyl)phenyl]prop-2-enamide

SMILES

Cc1cccc(CN(C(/C=C/c2ccccc2)=O)c2ccc(CC(NCc3cnccc3)=O)cc2)c1

InChI

InChI=1S/C31H29N3O2/c1-24-7-5-10-27(19-24)23-34(31(36)17-14-25-8-3-2-4-9-25)29-15-12-26(13-16-29)20-30(35)33-22-28-11-6-18-32-21-28/h2-19,21H,20,22-23H2,1H3,(H,33,35)

InChI Key

IGCHJPHQJNFWMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903601

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.071

Water Solubility, LogSw

-4.51

Polar Surface Area

48.780

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

V016-8283 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 V016-8283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8283?
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What is the minimum amount of V016-8283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8283
  • 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 V016-8283 available by request