4729-0493 Screening compound: (2Z)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-(phenylformamido)prop-2-enamide

4729-0493 Screening compound: (2Z)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-(phenylformamido)prop-2-enamide
4729-0493 Screening compound: (2Z)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-(phenylformamido)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4729-0493
(2Z)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-(phenylformamido)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

4729-0493

Molecular Formula

C23H22N2O4 (C23 H22 N2 O4)

Compound Name

(2Z)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-(phenylformamido)prop-2-enamide

IUPAC name

(2Z)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-(phenylformamido)prop-2-enamide

SMILES

COc1ccc(CCNC(/C(/NC(c2ccccc2)=O)=C/c2ccco2)=O)cc1

InChI

InChI=1S/C23H22N2O4/c1-28-19-11-9-17(10-12-19)13-14-24-23(27)21(16-20-8-5-15-29-20)25-22(26)18-6-3-2-4-7-18/h2-12,15-16H,13-14H2,1H3,(H,24,27)(H,25,26)

InChI Key

KVTPGALDBNFIJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02175773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.008

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-3.51

Polar Surface Area

61.710

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

4729-0493 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 4729-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4729-0493?
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What is the minimum amount of 4729-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4729-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4729-0493
  • 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 4729-0493 available by request