0140-0223 Screening compound: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate

0140-0223 Screening compound: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate
0140-0223 Screening compound: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0140-0223
2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate

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

0140-0223

Molecular Formula

C14H11N2O3S2 (C14 H11 N2 O3 S2)

Compound Name

2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonate

IUPAC name

2-(4-aminophenyl)-6-methyl-13-benzothiazole-7-sulfonate

SMILES

Cc(ccc1c2sc(-c(cc3)ccc3N)n1)c2S([O-])(=O)=O

InChI

InChI=1S/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)/p-1

InChI Key

KGZUHYIHYBDNLC-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD00551814

Chemical and Physical Properties

Saltdata

NH4+

Molecular Weight

319.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.723

Distribution Coefficient, logD

0.723

Water Solubility, LogSw

-1.98

Polar Surface Area

72.907

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

0140-0223 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0140-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0140-0223?
Check Price and Availability of 0140-0223, 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 0140-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0140-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0140-0223
  • 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 0140-0223 available by request