C381-0238 Screening compound: 1-(3-chlorobenzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-1,3-benzodiazole

C381-0238 Screening compound: 1-(3-chlorobenzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-1,3-benzodiazole
C381-0238 Screening compound: 1-(3-chlorobenzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C381-0238
1-(3-chlorobenzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-1,3-benzodiazole

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

C381-0238

Molecular Formula

C22H17ClN2O2S2 (C22 H17 ClN2 O2 S2)

Compound Name

1-(3-chlorobenzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-1,3-benzodiazole

IUPAC name

1-(3-chlorobenzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-13-benzodiazole

SMILES

CSc1ccc(/C=C/c2nc(cccc3)c3n2S(c2cccc(Cl)c2)(=O)=O)cc1

InChI

InChI=1S/C22H17ClN2O2S2/c1-28-18-12-9-16(10-13-18)11-14-22-24-20-7-2-3-8-21(20)25(22)29(26,27)19-6-4-5-17(23)15-19/h2-15H,1H3

InChI Key

OGLVBQZRHOZYLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.349

Distribution Coefficient, logD

6.349

Water Solubility, LogSw

-6.47

Polar Surface Area

37.258

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C381-0238 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C381-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C381-0238?
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What is the minimum amount of C381-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C381-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C381-0238
  • 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 C381-0238 available by request