S730-0211 Screening compound: N-(2-FLUOROPHENYL)-1'-OXO-HEXAHYDRO-1'H-SPIRO[PIPERIDINE-4,7'-PYRROLO[1,2-A]PYRAZINE]-1-CARBOXAMIDE
Chemical Structure Depiction of ChemDiv screening compound S730-0211
N-(2-FLUOROPHENYL)-1'-OXO-HEXAHYDRO-1'H-SPIRO[PIPERIDINE-4,7'-PYRROLO[1,2-A]PYRAZINE]-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
S730-0211
Molecular Formula
C18H23FN4O2 (C18 H23 FN4 O2)
Compound Name
N-(2-FLUOROPHENYL)-1'-OXO-HEXAHYDRO-1'H-SPIRO[PIPERIDINE-4,7'-PYRROLO[1,2-A]PYRAZINE]-1-CARBOXAMIDE
IUPAC name
n/a
SMILES
O=C(Nc(cccc1)c1F)N1CCC(C2)(CN(CCN3)C2C3=O)CC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
346.4
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.956
Distribution Coefficient, logD
-0.053
Water Solubility, LogSw
-2.03
Polar Surface Area
53.468
Acid Dissociation Constant (pKa)
12.14
Base Dissociation Constant (pKb)
8.36
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
55.60
S730-0211 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
3D-Pharmacophore Based Diversity Library (49813 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- Cyclic compounds
- Mimetics
- Cyclic compounds
- Mimetics
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Antiviral
- Infections
- Immune system
- Nervous system
- Cardiovascular
- Ion Channels
References: we are preparing a list of scientific research reports with S730-0211 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)