0180-0381 Screening compound: 2-benzyl-1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole

0180-0381 Screening compound: 2-benzyl-1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole
0180-0381 Screening compound: 2-benzyl-1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0180-0381
2-benzyl-1-(4-chlorobenzenesulfonyl)-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

0180-0381

Molecular Formula

C20H15ClN2O2S (C20 H15 ClN2 O2 S)

Compound Name

2-benzyl-1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole

IUPAC name

2-benzyl-1-(4-chlorobenzenesulfonyl)-1H-13-benzodiazole

SMILES

O=S(c(cc1)ccc1Cl)(n1c(cccc2)c2nc1Cc1ccccc1)=O

InChI

InChI=1S/C20H15ClN2O2S/c21-16-10-12-17(13-11-16)26(24,25)23-19-9-5-4-8-18(19)22-20(23)14-15-6-2-1-3-7-15/h1-13H,14H2

InChI Key

WRQLCQPXWGGGJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00569535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.87

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

5.160

Distribution Coefficient, logD

5.160

Water Solubility, LogSw

-5.77

Polar Surface Area

37.258

Acid Dissociation Constant (pKa)

30.03

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

0180-0381 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 0180-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0180-0381?
Check Price and Availability of 0180-0381, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0180-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0180-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0180-0381
  • 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 0180-0381 available by request