S018-0529 Screening compound: N-[(furan-2-yl)methyl]-2-(thiophene-2-sulfonyl)-2-azaspiro[4.5]decane-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S018-0529
N-[(furan-2-yl)methyl]-2-(thiophene-2-sulfonyl)-2-azaspiro[4.5]decane-4-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
S018-0529
Molecular Formula
C19H24N2O4S2 (C19 H24 N2 O4 S2)
Compound Name
N-[(furan-2-yl)methyl]-2-(thiophene-2-sulfonyl)-2-azaspiro[4.5]decane-4-carboxamide
IUPAC name
N-[(furan-2-yl)methyl]-2-(thiophene-2-sulfonyl)-2-azaspiro[4.5]decane-4-carboxamide
SMILES
O=C(C(CN(C1)S(c2cccs2)(=O)=O)C11CCCCC1)NCc1ccco1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
408.54
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
2.758
Distribution Coefficient, logD
2.758
Water Solubility, LogSw
-3.22
Polar Surface Area
65.283
Acid Dissociation Constant (pKa)
11.37
Base Dissociation Constant (pKb)
-2.54
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
52.60
S018-0529 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Spiro Library (21655 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
New Agro Library (44492 compounds)
Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Epigenetic
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Agro
References: we are preparing a list of scientific research reports with S018-0529 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)