8019-4513 Screening compound: 2-(acetylamino)-3-thiophenecarboxylic acid
Chemical Structure Depiction of ChemDiv screening compound 8019-4513
2-(acetylamino)-3-thiophenecarboxylic 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
8019-4513
Molecular Formula
C7H7NO3S (C7 H7 NO3 S)
Compound Name
2-(acetylamino)-3-thiophenecarboxylic acid
IUPAC name
2-acetamidothiophene-3-carboxylic acid
SMILES
CC(Nc(scc1)c1C(O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
185.2
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
0.677
Distribution Coefficient, logD
-3.215
Water Solubility, LogSw
-1.91
Polar Surface Area
51.703
Acid Dissociation Constant (pKa)
3.51
Base Dissociation Constant (pKb)
-6.72
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.29
8019-4513 in Drug Discovery
Included in Screening Libraries
Chelators targeting matrix metalloproteinases library (8930 compounds)
Fragments Library (11262 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
- Cancer
- Digestive system
- Cardiovascular
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Cancer
- Digestive system
- Nervous system
- Female
- Metabolic
- Endocrine
- Proteases
- Phosphatases
- Phosphatases
- Fragments
- Receptor's ligands
References: we are preparing a list of scientific research reports with 8019-4513 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)