V018-1626 Screening compound: (2E)-N-benzyl-N-(4-{[(2-methoxyethyl)carbamoyl]methyl}phenyl)-3-phenylprop-2-enamide

V018-1626 Screening compound: (2E)-N-benzyl-N-(4-{[(2-methoxyethyl)carbamoyl]methyl}phenyl)-3-phenylprop-2-enamide
V018-1626 Screening compound: (2E)-N-benzyl-N-(4-{[(2-methoxyethyl)carbamoyl]methyl}phenyl)-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1626
(2E)-N-benzyl-N-(4-{[(2-methoxyethyl)carbamoyl]methyl}phenyl)-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

V018-1626

Molecular Formula

C27H28N2O3 (C27 H28 N2 O3)

Compound Name

(2E)-N-benzyl-N-(4-{[(2-methoxyethyl)carbamoyl]methyl}phenyl)-3-phenylprop-2-enamide

IUPAC name

(2E)-N-benzyl-N-(4-{[(2-methoxyethyl)carbamoyl]methyl}phenyl)-3-phenylprop-2-enamide

SMILES

COCCNC(Cc(cc1)ccc1N(Cc1ccccc1)C(/C=C/c1ccccc1)=O)=O

InChI

InChI=1S/C27H28N2O3/c1-32-19-18-28-26(30)20-23-12-15-25(16-13-23)29(21-24-10-6-3-7-11-24)27(31)17-14-22-8-4-2-5-9-22/h2-17H,18-21H2,1H3,(H,28,30)

InChI Key

KHSHZHTZKUWAGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-4.30

Polar Surface Area

47.718

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

V018-1626 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 V018-1626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1626?
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What is the minimum amount of V018-1626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1626
  • 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 V018-1626 available by request