3032-0971 Screening compound: N-(4-bromophenyl)-2,1,3-benzothiadiazole-5-carboxamide

3032-0971 Screening compound: N-(4-bromophenyl)-2,1,3-benzothiadiazole-5-carboxamide
3032-0971 Screening compound: N-(4-bromophenyl)-2,1,3-benzothiadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3032-0971
N-(4-bromophenyl)-2,1,3-benzothiadiazole-5-carboxamide

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

3032-0971

Molecular Formula

C13H8BrN3OS (C13 H8 BrN3 OS)

Compound Name

N-(4-bromophenyl)-2,1,3-benzothiadiazole-5-carboxamide

IUPAC name

N-(4-bromophenyl)-213-benzothiadiazole-5-carboxamide

SMILES

O=C(c1cc2nsnc2cc1)Nc(cc1)ccc1Br

InChI

InChI=1S/C13H8BrN3OS/c14-9-2-4-10(5-3-9)15-13(18)8-1-6-11-12(7-8)17-19-16-11/h1-7H,(H,15,18)

InChI Key

ZNBSMBZVYKXZLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01785152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.041

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.29

Polar Surface Area

43.512

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3032-0971 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3032-0971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3032-0971?
Check Price and Availability of 3032-0971, 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 3032-0971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3032-0971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3032-0971
  • 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 3032-0971 available by request