V018-1387 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-3-phenyl-N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)prop-2-enamide

V018-1387 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-3-phenyl-N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)prop-2-enamide
V018-1387 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-3-phenyl-N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1387
(2E)-N-[(3-fluorophenyl)methyl]-3-phenyl-N-(4-{[(prop-2-en-1-yl)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

V018-1387

Molecular Formula

C27H25FN2O2 (C27 H25 FN2 O2)

Compound Name

(2E)-N-[(3-fluorophenyl)methyl]-3-phenyl-N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)prop-2-enamide

IUPAC name

(2E)-N-[(3-fluorophenyl)methyl]-3-phenyl-N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)prop-2-enamide

SMILES

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

InChI

InChI=1S/C27H25FN2O2/c1-2-17-29-26(31)19-22-11-14-25(15-12-22)30(20-23-9-6-10-24(28)18-23)27(32)16-13-21-7-4-3-5-8-21/h2-16,18H,1,17,19-20H2,(H,29,31)

InChI Key

YCTZWTNAIZXSAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903788

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

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.512

Distribution Coefficient, logD

4.512

Water Solubility, LogSw

-4.57

Polar Surface Area

39.375

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

V018-1387 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V018-1387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1387?
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What is the minimum amount of V018-1387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1387
  • 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 V018-1387 available by request