S223-2345 Screening compound: N-{[2-(3-fluorobenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methyl}pyrrolidine-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S223-2345
N-{[2-(3-fluorobenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methyl}pyrrolidine-1-carboxamide
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
S223-2345
Molecular Formula
C20H28FN3O4S (C20 H28 FN3 O4 S)
Compound Name
N-{[2-(3-fluorobenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methyl}pyrrolidine-1-carboxamide
IUPAC name
N-{[2-(3-fluorobenzenesulfonyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methyl}pyrrolidine-1-carboxamide
SMILES
O=C(NCC(CN(C1)S(c2cc(F)ccc2)(=O)=O)C11CCOCC1)N1CCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
425.52
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.230
Distribution Coefficient, logD
2.230
Water Solubility, LogSw
-2.86
Polar Surface Area
67.169
Acid Dissociation Constant (pKa)
15.44
Base Dissociation Constant (pKb)
0.22
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
65.00
S223-2345 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Cyclic compounds
References: we are preparing a list of scientific research reports with S223-2345 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)