S233-0752 Screening compound: N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}methanesulfonamide
Chemical Structure Depiction of ChemDiv screening compound S233-0752
N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}methanesulfonamide
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
S233-0752
Molecular Formula
C13H24N2O4S (C13 H24 N2 O4 S)
Compound Name
N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}methanesulfonamide
IUPAC name
N-{[(4aS7aR)-1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}methanesulfonamide
SMILES
COCCN([C@H](CCC1)[C@]1(CNS(C)(=O)=O)CC1)C1=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
304.41
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.115
Distribution Coefficient, logD
0.115
Water Solubility, LogSw
-1.59
Polar Surface Area
68.099
Acid Dissociation Constant (pKa)
12.21
Base Dissociation Constant (pKb)
5.99
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
92.31
S233-0752 in Drug Discovery
Included in Screening Libraries
CNS MPO Library (28609 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Nervous system
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with S233-0752 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)