S732-0267 Screening compound: ethyl 3-methyl-5-({9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-1-yl}sulfonyl)-1-benzofuran-2-carboxylate
Chemical Structure Depiction of ChemDiv screening compound S732-0267
ethyl 3-methyl-5-({9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-1-yl}sulfonyl)-1-benzofuran-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
S732-0267
Molecular Formula
C24H32N2O6S (C24 H32 N2 O6 S)
Compound Name
ethyl 3-methyl-5-({9-oxo-tetradecahydrocyclopenta[b]1,5-diazacycloundecan-1-yl}sulfonyl)-1-benzofuran-2-carboxylate
IUPAC name
ethyl 5-{[(9aR12aS)-9-oxo-tetradecahydrocyclopenta[b]15-diazacycloundecan-1-yl]sulfonyl}-3-methyl-1-benzofuran-2-carboxylate
SMILES
CCOC(c1c(C)c(cc(cc2)S(N(CCCCCCN3)[C@@H](CCC4)[C@@H]4C3=O)(=O)=O)c2o1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
476.59
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.733
Distribution Coefficient, logD
3.733
Water Solubility, LogSw
-3.79
Polar Surface Area
86.993
Acid Dissociation Constant (pKa)
13.60
Base Dissociation Constant (pKb)
-0.14
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
58.33
S732-0267 in Drug Discovery
Included in Screening Libraries
Macrocycles Library (2450 compounds)
Protein-Protein Interaction Library (218420 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with S732-0267 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)