G672-0413 Screening compound: N-[(4-fluorophenyl)methyl]-2-[6-oxo-3-(piperidine-1-sulfonyl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]acetamide
Chemical Structure Depiction of ChemDiv screening compound G672-0413
N-[(4-fluorophenyl)methyl]-2-[6-oxo-3-(piperidine-1-sulfonyl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]acetamide
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
G672-0413
Molecular Formula
C26H31FN4O4S (C26 H31 FN4 O4 S)
Compound Name
N-[(4-fluorophenyl)methyl]-2-[6-oxo-3-(piperidine-1-sulfonyl)-5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxalin-5-yl]acetamide
IUPAC name
N-[(4-fluorophenyl)methyl]-2-[6-oxo-3-(piperidine-1-sulfonyl)-5H6H6aH7H8H9H10H-pyrido[12-a]quinoxalin-5-yl]acetamide
SMILES
O=C(CN1c(cc(cc2)S(N3CCCCC3)(=O)=O)c2N(CCCC2)C2C1=O)NCc(cc1)ccc1F
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
514.62
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.988
Distribution Coefficient, logD
2.988
Water Solubility, LogSw
-3.53
Polar Surface Area
73.974
Acid Dissociation Constant (pKa)
12.58
Base Dissociation Constant (pKb)
-0.95
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
46.20
G672-0413 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
Lipid Metabolism Library (9174 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cardiovascular
- Metabolic
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with G672-0413 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)