3771-0916 Screening compound: 2-benzyl-1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazole

3771-0916 Screening compound: 2-benzyl-1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazole
3771-0916 Screening compound: 2-benzyl-1-(4-bromobenzenesulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3771-0916
2-benzyl-1-(4-bromobenzenesulfonyl)-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

3771-0916

Molecular Formula

C20H15BrN2O2S (C20 H15 BrN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=S(c(cc1)ccc1Br)(n1c(cccc2)c2nc1Cc1ccccc1)=O

InChI

InChI=1S/C20H15BrN2O2S/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

HDRMNWXNLFBTFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02585304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.32

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

5.399

Distribution Coefficient, logD

5.399

Water Solubility, LogSw

-5.80

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

3771-0916 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3771-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3771-0916?
Check Price and Availability of 3771-0916, 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 3771-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3771-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3771-0916
  • 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 3771-0916 available by request