C073-4774 Screening compound: (1R,2S,5R,7S)-N~2~-cyclohexyl-3-cyclopropyl-N~6~-(3,5-dimethylphenyl)-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 C073-4774
(1R,2S,5R,7S)-N~2~-cyclohexyl-3-cyclopropyl-N~6~-(3,5-dimethylphenyl)-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
C073-4774
Molecular Formula
C27H33N3O4 (C27 H33 N3 O4)
Compound Name
(1R,2S,5R,7S)-N~2~-cyclohexyl-3-cyclopropyl-N~6~-(3,5-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
IUPAC name
(5R7S)-N2-cyclohexyl-3-cyclopropyl-N6-(35-dimethylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide
SMILES
Cc1cc(NC(C([C@H]2C(N(C3CC3)C3C(NC4CCCCC4)=O)=O)[C@H]4O[C@@]23C=C4)=O)cc(C)c1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
463.58
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.789
Distribution Coefficient, logD
3.789
Water Solubility, LogSw
-3.91
Polar Surface Area
71.350
Acid Dissociation Constant (pKa)
10.20
Base Dissociation Constant (pKb)
1.30
Number of Chiral Centers
5.00
Percent sp3 carbon bonding
59.30
C073-4774 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Autophagy-Targeted Library (4564 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Cyclic Ugi PPI Library (9586 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
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)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
- Infections
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with C073-4774 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)