8010-1328 Screening compound: ethyl 5-[(2E)-N-(4-chlorobenzenesulfonyl)-3-phenylprop-2-enamido]-2-phenyl-1-benzofuran-3-carboxylate

8010-1328 Screening compound: ethyl 5-[(2E)-N-(4-chlorobenzenesulfonyl)-3-phenylprop-2-enamido]-2-phenyl-1-benzofuran-3-carboxylate
8010-1328 Screening compound: ethyl 5-[(2E)-N-(4-chlorobenzenesulfonyl)-3-phenylprop-2-enamido]-2-phenyl-1-benzofuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1328
ethyl 5-[(2E)-N-(4-chlorobenzenesulfonyl)-3-phenylprop-2-enamido]-2-phenyl-1-benzofuran-3-carboxylate

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

8010-1328

Molecular Formula

C32H24ClNO6S (C32 H24 ClNO6 S)

Compound Name

ethyl 5-[(2E)-N-(4-chlorobenzenesulfonyl)-3-phenylprop-2-enamido]-2-phenyl-1-benzofuran-3-carboxylate

IUPAC name

ethyl 5-[(2E)-N-(4-chlorobenzenesulfonyl)-3-phenylprop-2-enamido]-2-phenyl-1-benzofuran-3-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)oc(cc2)c1cc2N(C(/C=C/c1ccccc1)=O)S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C32H24ClNO6S/c1-2-39-32(36)30-27-21-25(16-19-28(27)40-31(30)23-11-7-4-8-12-23)34(29(35)20-13-22-9-5-3-6-10-22)41(37,38)26-17-14-24(33)15-18-26/h3-21H,2H2,1H3

InChI Key

GMQPWMPNPWFESA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.06

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.532

Distribution Coefficient, logD

7.532

Water Solubility, LogSw

-6.42

Polar Surface Area

74.027

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-12.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8010-1328 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-1328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1328?
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What is the minimum amount of 8010-1328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1328
  • 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 8010-1328 available by request