C381-0225 Screening compound: 1-(benzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-1,3-benzodiazole

C381-0225 Screening compound: 1-(benzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-1,3-benzodiazole
C381-0225 Screening compound: 1-(benzenesulfonyl)-2-[(1E)-2-[4-(methylsulfanyl)phenyl]ethenyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C381-0225
1-(benzenesulfonyl)-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

C381-0225

Molecular Formula

C22H18N2O2S2 (C22 H18 N2 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(/C=C/c2nc(cccc3)c3n2S(c2ccccc2)(=O)=O)cc1

InChI

InChI=1S/C22H18N2O2S2/c1-27-18-14-11-17(12-15-18)13-16-22-23-20-9-5-6-10-21(20)24(22)28(25,26)19-7-3-2-4-8-19/h2-16H,1H3

InChI Key

CMVTVPPJXLTLHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

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

5.570

Distribution Coefficient, logD

5.570

Water Solubility, LogSw

-5.72

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

C381-0225 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 C381-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C381-0225?
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What is the minimum amount of C381-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C381-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C381-0225
  • 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 C381-0225 available by request