S730-0248 Screening compound: 1-(thiophene-2-sulfonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one
Chemical Structure Depiction of ChemDiv screening compound S730-0248
1-(thiophene-2-sulfonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one
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
S730-0248
Molecular Formula
C15H21N3O3S2 (C15 H21 N3 O3 S2)
Compound Name
1-(thiophene-2-sulfonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one
IUPAC name
1-(thiophene-2-sulfonyl)-hexahydro-1'H-spiro[piperidine-47'-pyrrolo[12-a]pyrazin]-1'-one
SMILES
O=C1NCCN(C2)C1CC2(CC1)CCN1S(c1cccs1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
355.48
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.563
Distribution Coefficient, logD
-0.322
Water Solubility, LogSw
-2.28
Polar Surface Area
61.426
Acid Dissociation Constant (pKa)
14.50
Base Dissociation Constant (pKb)
8.22
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
66.70
S730-0248 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS MPO Library (28609 compounds)
GPCR Targeted Library (31838 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)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- GPCR
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with S730-0248 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)