0180-0367 Screening compound: 2-(2-chloro-4-nitrobenzenesulfonyl)-1,3-benzothiazole

0180-0367 Screening compound: 2-(2-chloro-4-nitrobenzenesulfonyl)-1,3-benzothiazole
0180-0367 Screening compound: 2-(2-chloro-4-nitrobenzenesulfonyl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0180-0367
2-(2-chloro-4-nitrobenzenesulfonyl)-1,3-benzothiazole

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

0180-0367

Molecular Formula

C13H7ClN2O4S2 (C13 H7 ClN2 O4 S2)

Compound Name

2-(2-chloro-4-nitrobenzenesulfonyl)-1,3-benzothiazole

IUPAC name

2-(2-chloro-4-nitrobenzenesulfonyl)-13-benzothiazole

SMILES

[O-][N+](c(cc1)cc(Cl)c1S(c1nc(cccc2)c2s1)(=O)=O)=O

InChI

InChI=1S/C13H7ClN2O4S2/c14-9-7-8(16(17)18)5-6-12(9)22(19,20)13-15-10-3-1-2-4-11(10)21-13/h1-7H

InChI Key

LHGRVPKZXRERHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

3.979

Water Solubility, LogSw

-4.41

Polar Surface Area

72.616

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0180-0367 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0180-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0180-0367?
Check Price and Availability of 0180-0367, 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 0180-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0180-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0180-0367
  • 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 0180-0367 available by request