0133-0070 Screening compound: 4,5-dichloro-2-methyl-1,3-benzothiazole

0133-0070 Screening compound: 4,5-dichloro-2-methyl-1,3-benzothiazole
0133-0070 Screening compound: 4,5-dichloro-2-methyl-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0070
4,5-dichloro-2-methyl-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

0133-0070

Molecular Formula

C8H5Cl2NS (C8 H5 Cl2 NS)

Compound Name

4,5-dichloro-2-methyl-1,3-benzothiazole

IUPAC name

45-dichloro-2-methyl-13-benzothiazole

SMILES

Cc1nc(c(Cl)c(cc2)Cl)c2s1

InChI

InChI=1S/C8H5Cl2NS/c1-4-11-8-6(12-4)3-2-5(9)7(8)10/h2-3H,1H3

InChI Key

KHDXWYMBFKGSHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00160103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.11

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.819

Distribution Coefficient, logD

3.819

Water Solubility, LogSw

-4.50

Polar Surface Area

10.536

Acid Dissociation Constant (pKa)

32.58

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0133-0070 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0133-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0070?
Check Price and Availability of 0133-0070, 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 0133-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0070
  • 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 0133-0070 available by request