8018-6438 Screening compound: 5-isothiazolecarboxylic acid
Chemical Structure Depiction of ChemDiv screening compound 8018-6438
5-isothiazolecarboxylic 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
8018-6438
Molecular Formula
C4H3NO2S (C4 H3 NO2 S)
Compound Name
5-isothiazolecarboxylic acid
IUPAC name
12-thiazole-5-carboxylic acid
SMILES
OC(c1ccns1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
129.14
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
0.400
Distribution Coefficient, logD
-4.793
Water Solubility, LogSw
-1.62
Polar Surface Area
41.129
Acid Dissociation Constant (pKa)
2.21
Base Dissociation Constant (pKb)
-3.35
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
8018-6438 in Drug Discovery
Included in Screening Libraries
Antiviral Annotated Library (21441 compounds)
Fragments Library (11262 compounds)
Human GPCR Annotated Library (5539 compounds)
Human Kinases Annotated Library (2415 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
- Fragments
- Eye
- 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
- GPCR
- Ion Channels
- Phosphatases
- Phosphatases
- Receptor's ligands
- Epigenetic
- Receptor's ligands
References: we are preparing a list of scientific research reports with 8018-6438 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)