V016-4266 Screening compound: (2E)-N-{4-[(cyclopropylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide

V016-4266 Screening compound: (2E)-N-{4-[(cyclopropylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide
V016-4266 Screening compound: (2E)-N-{4-[(cyclopropylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4266
(2E)-N-{4-[(cyclopropylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)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

V016-4266

Molecular Formula

C27H25FN2O2 (C27 H25 FN2 O2)

Compound Name

(2E)-N-{4-[(cyclopropylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-{4-[(cyclopropylcarbamoyl)methyl]phenyl}-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide

SMILES

O=C(Cc(cc1)ccc1N(Cc1cccc(F)c1)C(/C=C/c1ccccc1)=O)NC1CC1

InChI

InChI=1S/C27H25FN2O2/c28-23-8-4-7-22(17-23)19-30(27(32)16-11-20-5-2-1-3-6-20)25-14-9-21(10-15-25)18-26(31)29-24-12-13-24/h1-11,14-17,24H,12-13,18-19H2,(H,29,31)

InChI Key

YSHFFOHJRBAZDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.740

Distribution Coefficient, logD

4.740

Water Solubility, LogSw

-4.86

Polar Surface Area

39.318

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V016-4266 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 V016-4266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4266?
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What is the minimum amount of V016-4266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4266
  • 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 V016-4266 available by request