8009-4523 Screening compound: 3-(methylamino)-1H-1,2-benzisothiazole-1,1-dione

8009-4523 Screening compound: 3-(methylamino)-1H-1,2-benzisothiazole-1,1-dione
8009-4523 Screening compound: 3-(methylamino)-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4523
3-(methylamino)-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

8009-4523

Molecular Formula

C8H8N2O2S (C8 H8 N2 O2 S)

Compound Name

3-(methylamino)-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

3-(methylamino)-1lambda62-benzothiazole-11-dione

SMILES

CNC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C8H8N2O2S/c1-9-8-6-4-2-3-5-7(6)13(11,12)10-8/h2-5H,1H3,(H,9,10)

InChI Key

YETRYHHSQIVPAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01422954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.296

Distribution Coefficient, logD

0.296

Water Solubility, LogSw

-2.19

Polar Surface Area

52.588

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8009-4523 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8009-4523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4523?
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What is the minimum amount of 8009-4523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4523
  • 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 8009-4523 available by request