8020-1708 Screening compound: methyl 5-isoxazolecarboxylate
Chemical Structure Depiction of ChemDiv screening compound 8020-1708
methyl 5-isoxazolecarboxylate
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
8020-1708
Molecular Formula
C5H5NO3 (C5 H5 NO3)
Compound Name
methyl 5-isoxazolecarboxylate
IUPAC name
methyl 12-oxazole-5-carboxylate
SMILES
COC(c1ccno1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
127.1
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
0.235
Distribution Coefficient, logD
0.235
Water Solubility, LogSw
-1.08
Polar Surface Area
43.553
Acid Dissociation Constant (pKa)
33.74
Base Dissociation Constant (pKb)
-4.66
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
8020-1708 in Drug Discovery
Included in Screening Libraries
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
- 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 8020-1708 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)