8002-8693 Screening compound: 3-[(2-hydroxyethyl)sulfanyl]-1H-1,2-benzisothiazole-1,1-dione

8002-8693 Screening compound: 3-[(2-hydroxyethyl)sulfanyl]-1H-1,2-benzisothiazole-1,1-dione
8002-8693 Screening compound: 3-[(2-hydroxyethyl)sulfanyl]-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-8693
3-[(2-hydroxyethyl)sulfanyl]-1H-1,2-benzisothiazole-1,1-dione

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

8002-8693

Molecular Formula

C9H9NO3S2 (C9 H9 NO3 S2)

Compound Name

3-[(2-hydroxyethyl)sulfanyl]-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

3-[(2-hydroxyethyl)sulfanyl]-1lambda62-benzothiazole-11-dione

SMILES

OCCSC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C9H9NO3S2/c11-5-6-14-9-7-3-1-2-4-8(7)15(12,13)10-9/h1-4,11H,5-6H2

InChI Key

QBKCXBCNDNFBCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00468134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.349

Distribution Coefficient, logD

0.349

Water Solubility, LogSw

-2.20

Polar Surface Area

57.435

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-6.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8002-8693 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 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

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

References: we are preparing a list of scientific research reports with 8002-8693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-8693?
Check Price and Availability of 8002-8693, 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 8002-8693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-8693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-8693
  • 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 8002-8693 available by request