J007-1488 Screening compound: methyl 3-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of ChemDiv screening compound J007-1488
methyl 3-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate
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
J007-1488
Molecular Formula
C17H21N3O4S (C17 H21 N3 O4 S)
Compound Name
methyl 3-{[2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate
IUPAC name
methyl 3-{[2-(5-ethyl-3-methyl-12-oxazol-4-yl)pyrrolidine-1-carbonyl]amino}thiophene-2-carboxylate
SMILES
CCc1c(C(CCC2)N2C(Nc2c(C(OC)=O)scc2)=O)c(C)no1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
363.44
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.805
Distribution Coefficient, logD
2.805
Water Solubility, LogSw
-3.21
Polar Surface Area
68.777
Acid Dissociation Constant (pKa)
10.55
Base Dissociation Constant (pKb)
-2.56
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.10
J007-1488 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Targeted Diversity Library (40567 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with J007-1488 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)