Y040-6852 Screening compound: 1,3-benzothiazole-6-carboxylic acid

Y040-6852 Screening compound: 1,3-benzothiazole-6-carboxylic acid
Y040-6852 Screening compound: 1,3-benzothiazole-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6852
1,3-benzothiazole-6-carboxylic acid

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

Y040-6852

Molecular Formula

C8H5NO2S (C8 H5 NO2 S)

Compound Name

1,3-benzothiazole-6-carboxylic acid

IUPAC name

13-benzothiazole-6-carboxylic acid

SMILES

OC(c(cc1)cc2c1ncs2)=O

InChI

InChI=1S/C8H5NO2S/c10-8(11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H,10,11)

InChI Key

DMPZJACLHDWUFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00111651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

179.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.183

Distribution Coefficient, logD

-0.246

Water Solubility, LogSw

-2.44

Polar Surface Area

37.990

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-6852 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Fragments Library (11262 compounds)

Human Receptors Annotated Library (5376 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-6852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6852?
Check Price and Availability of Y040-6852, 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 Y040-6852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6852
  • 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 Y040-6852 available by request