G741-1158 Screening compound: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide
Chemical Structure Depiction of ChemDiv screening compound G741-1158
4-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-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
G741-1158
Molecular Formula
C23H25FN4O3 (C23 H25 FN4 O3)
Compound Name
4-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-1-carboxamide
IUPAC name
4-[2-(azepan-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)-3-oxo-1234-tetrahydroquinoxaline-1-carboxamide
SMILES
O=C(CN(C(C1)=O)c(cccc2)c2N1C(Nc(cc1)ccc1F)=O)N1CCCCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
424.48
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.889
Distribution Coefficient, logD
2.889
Water Solubility, LogSw
-3.46
Polar Surface Area
56.489
Acid Dissociation Constant (pKa)
12.73
Base Dissociation Constant (pKb)
2.65
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
34.80
G741-1158 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Antiviral Library (67538 compounds)
Included in 1.7M Stock Database
- 3D
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with G741-1158 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)