6283-0037 Screening compound: isobutyl (1S,5S,6R,7R)-3-(3-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 6283-0037
isobutyl (1S,5S,6R,7R)-3-(3-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-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
6283-0037
Molecular Formula
C19H20ClNO4 (C19 H20 ClNO4)
Compound Name
isobutyl (1S,5S,6R,7R)-3-(3-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate
IUPAC name
2-methylpropyl (5S6R7R)-3-(3-chlorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-6-carboxylate
SMILES
CC(C)COC([C@H]([C@@H]1C(N(C2)c3cccc(Cl)c3)=O)[C@@H]3O[C@@]12C=C3)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
361.82
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.836
Distribution Coefficient, logD
3.836
Water Solubility, LogSw
-4.24
Polar Surface Area
45.231
Acid Dissociation Constant (pKa)
11.20
Base Dissociation Constant (pKb)
-5.92
Number of Chiral Centers
4.00
Percent sp3 carbon bonding
47.40
6283-0037 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with 6283-0037 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)