8004-9238 Screening compound: methyl 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)sulfanyl]acetate
Chemical Structure Depiction of ChemDiv screening compound 8004-9238
methyl 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)sulfanyl]acetate
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
8004-9238
Molecular Formula
C10H9NO4S2 (C10 H9 NO4 S2)
Compound Name
methyl 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)sulfanyl]acetate
IUPAC name
methyl 2-[(11-dioxo-1lambda62-benzothiazol-3-yl)sulfanyl]acetate
SMILES
COC(CSC(c1c2cccc1)=NS2(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
271.32
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
0.815
Distribution Coefficient, logD
0.815
Water Solubility, LogSw
-2.22
Polar Surface Area
61.358
Acid Dissociation Constant (pKa)
27.76
Base Dissociation Constant (pKb)
-6.84
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
8004-9238 in Drug Discovery
Included in Screening Libraries
Antiparasite Library (23996 compounds)
Fragments Library (11262 compounds)
Human Kinases Annotated Library (2415 compounds)
Human Receptors Annotated Library (5376 compounds)
Human Transcription Factors Annotated Library (5098 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Voltage-Gated Ion Channel-Targeted Library (4740 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 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
- Infections
- Immune system
- animal
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Nervous system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Cancer
- Digestive system
- Nervous system
- Female
- Metabolic
- Endocrine
- Agro
- Fragments
- Others
- Ion Channels
- Phosphatases
- Phosphatases
- Epigenetic
- Receptor's ligands
References: we are preparing a list of scientific research reports with 8004-9238 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)