C381-0011 Screening compound: 2-[(1E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorobenzenesulfonyl)-1H-1,3-benzodiazole

C381-0011 Screening compound: 2-[(1E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorobenzenesulfonyl)-1H-1,3-benzodiazole
C381-0011 Screening compound: 2-[(1E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorobenzenesulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C381-0011
2-[(1E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorobenzenesulfonyl)-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

C381-0011

Molecular Formula

C21H13BrCl2N2O2S (C21 H13 BrCl2 N2 O2 S)

Compound Name

2-[(1E)-2-(3-bromophenyl)ethenyl]-1-(2,5-dichlorobenzenesulfonyl)-1H-1,3-benzodiazole

IUPAC name

2-[(1E)-2-(3-bromophenyl)ethenyl]-1-(25-dichlorobenzenesulfonyl)-1H-13-benzodiazole

SMILES

O=S(c(cc(cc1)Cl)c1Cl)(n1c(cccc2)c2nc1/C=C/c1cccc(Br)c1)=O

InChI

InChI=1S/C21H13BrCl2N2O2S/c22-15-5-3-4-14(12-15)8-11-21-25-18-6-1-2-7-19(18)26(21)29(27,28)20-13-16(23)9-10-17(20)24/h1-13H

InChI Key

FXNBSEHGBMKNHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14754850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.22

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.712

Distribution Coefficient, logD

6.712

Water Solubility, LogSw

-6.74

Polar Surface Area

37.258

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C381-0011 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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 C381-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C381-0011?
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What is the minimum amount of C381-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C381-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C381-0011
  • 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 C381-0011 available by request