7202-2964 Screening compound: 4-{[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl}benzoic acid

7202-2964 Screening compound: 4-{[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl}benzoic acid
7202-2964 Screening compound: 4-{[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7202-2964
4-{[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl}benzoic 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

7202-2964

Molecular Formula

C20H14N2O5S3 (C20 H14 N2 O5 S3)

Compound Name

4-{[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl}benzoic acid

IUPAC name

4-{[3-(13-benzothiazol-2-ylsulfanyl)-4-hydroxyphenyl]sulfamoyl}benzoic acid

SMILES

OC(c(cc1)ccc1S(Nc(cc1)cc(Sc2nc(cccc3)c3s2)c1O)(=O)=O)=O

InChI

InChI=1S/C20H14N2O5S3/c23-16-10-7-13(22-30(26,27)14-8-5-12(6-9-14)19(24)25)11-18(16)29-20-21-15-3-1-2-4-17(15)28-20/h1-11,22-23H,(H,24,25)

InChI Key

UPSLYCUVNKUACH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05804421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-5.46

Polar Surface Area

94.654

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

7202-2964 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7202-2964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7202-2964?
Check Price and Availability of 7202-2964, 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 7202-2964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7202-2964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7202-2964
  • 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 7202-2964 available by request