C073-4577 Screening compound: (1S,2R,5S,7R)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-(2-morpholinoethyl)-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 C073-4577
(1S,2R,5S,7R)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-(2-morpholinoethyl)-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
C073-4577
Molecular Formula
C28H35BrN4O5 (C28 H35 BrN4 O5)
Compound Name
(1S,2R,5S,7R)-N~6~-(4-bromophenyl)-N~2~-cyclohexyl-3-(2-morpholinoethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
IUPAC name
(5S7R)-N6-(4-bromophenyl)-N2-cyclohexyl-3-[2-(morpholin-4-yl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide
SMILES
O=C(C([C@H]1C(N(CCN2CCOCC2)C2C(NC3CCCCC3)=O)=O)[C@H]3O[C@@]12C=C3)Nc(cc1)ccc1Br
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
587.51
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.924
Distribution Coefficient, logD
2.803
Water Solubility, LogSw
-3.46
Polar Surface Area
83.666
Acid Dissociation Constant (pKa)
8.04
Base Dissociation Constant (pKb)
6.28
Number of Chiral Centers
5.00
Percent sp3 carbon bonding
60.70
C073-4577 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Cyclic Ugi PPI Library (9586 compounds)
Human Proteases Annotated Library (2868 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Peptidomimetic Library (37031 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
References: we are preparing a list of scientific research reports with C073-4577 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)