7167-1689 Screening compound: 5-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzothiadiazole

7167-1689 Screening compound: 5-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzothiadiazole
7167-1689 Screening compound: 5-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 7167-1689
5-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzothiadiazole

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

7167-1689

Molecular Formula

C13H6N4O2S3 (C13 H6 N4 O2 S3)

Compound Name

5-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzothiadiazole

IUPAC name

5-(13-benzothiazol-2-ylsulfanyl)-4-nitro-213-benzothiadiazole

SMILES

[O-][N+](c(c1nsnc1cc1)c1Sc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C13H6N4O2S3/c18-17(19)12-10(6-5-8-11(12)16-22-15-8)21-13-14-7-3-1-2-4-9(7)20-13/h1-6H

InChI Key

FRLQLQULNQMCFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05854797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.024

Distribution Coefficient, logD

5.024

Water Solubility, LogSw

-5.08

Polar Surface Area

62.781

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7167-1689 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 7167-1689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7167-1689?
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What is the minimum amount of 7167-1689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7167-1689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7167-1689
  • 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 7167-1689 available by request