S543-0881 Screening compound: N-cyclopropyl-N-[9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethane-1-sulfonamide
Chemical Structure Depiction of ChemDiv screening compound S543-0881
N-cyclopropyl-N-[9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethane-1-sulfonamide
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
S543-0881
Molecular Formula
C19H28N2O4S2 (C19 H28 N2 O4 S2)
Compound Name
N-cyclopropyl-N-[9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethane-1-sulfonamide
IUPAC name
N-cyclopropyl-N-[9-(thiophene-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]ethane-1-sulfonamide
SMILES
CCS(N(C1CC1)C1CC(CC2)(CCN2C(c2cccs2)=O)OCC1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
412.57
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.413
Distribution Coefficient, logD
2.413
Water Solubility, LogSw
-2.54
Polar Surface Area
56.590
Acid Dissociation Constant (pKa)
22.73
Base Dissociation Constant (pKb)
-0.61
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
73.68
S543-0881 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 compounds)
CNS MPO Library (28609 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Nervous system
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S543-0881 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)