V014-4547 Screening compound: 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)benzamide

V014-4547 Screening compound: 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)benzamide
V014-4547 Screening compound: 3-fluoro-N-[(4-methoxyphenyl)methyl]-N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4547
3-fluoro-N-[(4-methoxyphenyl)methyl]-N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)benzamide

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

V014-4547

Molecular Formula

C26H25FN2O3 (C26 H25 FN2 O3)

Compound Name

3-fluoro-N-[(4-methoxyphenyl)methyl]-N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)benzamide

IUPAC name

3-fluoro-N-[(4-methoxyphenyl)methyl]-N-(4-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)benzamide

SMILES

COc1ccc(CN(C(c2cccc(F)c2)=O)c2ccc(CC(NCC=C)=O)cc2)cc1

InChI

InChI=1S/C26H25FN2O3/c1-3-15-28-25(30)16-19-7-11-23(12-8-19)29(18-20-9-13-24(32-2)14-10-20)26(31)21-5-4-6-22(27)17-21/h3-14,17H,1,15-16,18H2,2H3,(H,28,30)

InChI Key

CQBCSSIVEGOVQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.49

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

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-4.12

Polar Surface Area

47.446

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with V014-4547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4547?
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What is the minimum amount of V014-4547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4547
  • 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 V014-4547 available by request