V023-9066 Screening compound: N-benzyl-2-(3-{[(4-fluorophenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-methylacetamide

V023-9066 Screening compound: N-benzyl-2-(3-{[(4-fluorophenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-methylacetamide
V023-9066 Screening compound: N-benzyl-2-(3-{[(4-fluorophenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-9066
N-benzyl-2-(3-{[(4-fluorophenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-methylacetamide

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

V023-9066

Molecular Formula

C27H28FN3O2 (C27 H28 FN3 O2)

Compound Name

N-benzyl-2-(3-{[(4-fluorophenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-methylacetamide

IUPAC name

N-benzyl-2-(3-{[(4-fluorophenyl)methyl][(prop-2-en-1-yl)carbamoyl]amino}phenyl)-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(Cc1cccc(N(Cc(cc2)ccc2F)C(NCC=C)=O)c1)=O

InChI

InChI=1S/C27H28FN3O2/c1-3-16-29-27(33)31(20-22-12-14-24(28)15-13-22)25-11-7-10-23(17-25)18-26(32)30(2)19-21-8-5-4-6-9-21/h3-15,17H,1,16,18-20H2,2H3,(H,29,33)

InChI Key

FKKJHUAHUQYVKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

4.925

Water Solubility, LogSw

-4.65

Polar Surface Area

41.469

Acid Dissociation Constant (pKa)

15.96

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with V023-9066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-9066?
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What is the minimum amount of V023-9066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-9066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-9066
  • 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 V023-9066 available by request