0133-0079 Screening compound: 5-chloro-2-methyl-6-nitro-1,3-benzothiazole

0133-0079 Screening compound: 5-chloro-2-methyl-6-nitro-1,3-benzothiazole
0133-0079 Screening compound: 5-chloro-2-methyl-6-nitro-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0079
5-chloro-2-methyl-6-nitro-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

0133-0079

Molecular Formula

C8H5ClN2O2S (C8 H5 ClN2 O2 S)

Compound Name

5-chloro-2-methyl-6-nitro-1,3-benzothiazole

IUPAC name

5-chloro-2-methyl-6-nitro-13-benzothiazole

SMILES

Cc(sc1c2)nc1cc(Cl)c2[N+]([O-])=O

InChI

InChI=1S/C8H5ClN2O2S/c1-4-10-6-2-5(9)7(11(12)13)3-8(6)14-4/h2-3H,1H3

InChI Key

HCIFTTCECGSAPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

228.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

3.117

Water Solubility, LogSw

-3.50

Polar Surface Area

42.846

Acid Dissociation Constant (pKa)

33.20

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0133-0079 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0133-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0079?
Check Price and Availability of 0133-0079, 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 0133-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0079
  • 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 0133-0079 available by request