C073-4063 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3-methoxyphenyl)-3-(4-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
Chemical Structure Depiction of ChemDiv screening compound C073-4063
(1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3-methoxyphenyl)-3-(4-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
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
C073-4063
Molecular Formula
C30H39N3O5 (C30 H39 N3 O5)
Compound Name
(1R,2S,5R,7S)-N~2~-cyclohexyl-N~6~-(3-methoxyphenyl)-3-(4-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
IUPAC name
(5R7S)-N2-cyclohexyl-N6-(3-methoxyphenyl)-3-(4-methylcyclohexyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide
SMILES
CC(CC1)CCC1N(C([C@]1([C@H]2C3C(Nc4cc(OC)ccc4)=O)O[C@H]3C=C1)C(NC1CCCCC1)=O)C2=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
521.66
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.879
Distribution Coefficient, logD
4.865
Water Solubility, LogSw
-4.65
Polar Surface Area
78.562
Acid Dissociation Constant (pKa)
8.85
Base Dissociation Constant (pKb)
1.30
Number of Chiral Centers
5.00
Percent sp3 carbon bonding
63.30
C073-4063 in Drug Discovery
Included in Screening Libraries
Cyclic Ugi PPI Library (9586 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with C073-4063 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)