V012-3242 Screening compound: N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)benzamide

V012-3242 Screening compound: N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)benzamide
V012-3242 Screening compound: N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-{[(prop-2-en-1-yl)carbamoyl]methyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3242
N-[(4-fluorophenyl)methyl]-3-methoxy-N-(3-{[(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

V012-3242

Molecular Formula

C26H25FN2O3 (C26 H25 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(N(Cc(cc2)ccc2F)c2cc(CC(NCC=C)=O)ccc2)=O)c1

InChI

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

InChI Key

JCDZHIWRWAJTGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915614

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

3.881

Distribution Coefficient, logD

3.881

Water Solubility, LogSw

-4.15

Polar Surface Area

47.446

Acid Dissociation Constant (pKa)

13.26

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with V012-3242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3242?
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What is the minimum amount of V012-3242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3242
  • 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 V012-3242 available by request