S730-0257 Screening compound: N,N-DIMETHYL-1'-OXOHEXAHYDRO-1H-SPIRO[PIPERIDINE-4,7'-PYRROLO[1,2-A]PYRAZINE]-1-SULFONAMIDE
Chemical Structure Depiction of ChemDiv screening compound S730-0257
N,N-DIMETHYL-1'-OXOHEXAHYDRO-1H-SPIRO[PIPERIDINE-4,7'-PYRROLO[1,2-A]PYRAZINE]-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
S730-0257
Molecular Formula
C13H24N4O3S (C13 H24 N4 O3 S)
Compound Name
N,N-DIMETHYL-1'-OXOHEXAHYDRO-1H-SPIRO[PIPERIDINE-4,7'-PYRROLO[1,2-A]PYRAZINE]-1-SULFONAMIDE
IUPAC name
NN-dimethyl-1'-oxo-hexahydro-1'H-spiro[piperidine-47'-pyrrolo[12-a]pyrazine]-1-sulfonamide
SMILES
CN(C)S(N1CCC(C2)(CN(CCN3)C2C3=O)CC1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
316.42
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
-0.809
Distribution Coefficient, logD
-1.694
Water Solubility, LogSw
-1.41
Polar Surface Area
64.767
Acid Dissociation Constant (pKa)
14.50
Base Dissociation Constant (pKb)
8.22
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
92.31
S730-0257 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)
Protein-Protein Interaction Library (218420 compounds)
Spiro Library (21655 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Nervous system
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
- Mimetics
References: we are preparing a list of scientific research reports with S730-0257 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)