C647-0653 Screening compound: 2-(3-benzoyl-6-methyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound C647-0653
2-(3-benzoyl-6-methyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(4-ethoxyphenyl)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
C647-0653
Molecular Formula
C27H24N2O4 (C27 H24 N2 O4)
Compound Name
2-(3-benzoyl-6-methyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
IUPAC name
2-(3-benzoyl-6-methyl-4-oxo-14-dihydroquinolin-1-yl)-N-(4-ethoxyphenyl)acetamide
SMILES
CCOc(cc1)ccc1NC(CN(C=C1C(c2ccccc2)=O)c(ccc(C)c2)c2C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
440.5
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.496
Distribution Coefficient, logD
4.496
Water Solubility, LogSw
-4.30
Polar Surface Area
59.302
Acid Dissociation Constant (pKa)
12.39
Base Dissociation Constant (pKb)
0.67
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.80
C647-0653 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Receptor's ligands
- Immune system
References: we are preparing a list of scientific research reports with C647-0653 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)