8015-6345 Screening compound: 2-ethoxy-2-oxo-1-phenylethyl 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylate
Chemical Structure Depiction of ChemDiv screening compound 8015-6345
2-ethoxy-2-oxo-1-phenylethyl 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylate
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
8015-6345
Molecular Formula
C28H24BrNO4 (C28 H24 BrNO4)
Compound Name
2-ethoxy-2-oxo-1-phenylethyl 6-bromo-2-(3,4-dimethylphenyl)-4-quinolinecarboxylate
IUPAC name
ethyl 2-[6-bromo-2-(34-dimethylphenyl)quinoline-4-carbonyloxy]-2-phenylacetate
SMILES
CCOC(C(c1ccccc1)OC(c1c(cc(cc2)Br)c2nc(-c2cc(C)c(C)cc2)c1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
518.41
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
8.016
Distribution Coefficient, logD
7.980
Water Solubility, LogSw
-5.79
Polar Surface Area
49.185
Acid Dissociation Constant (pKa)
20.73
Base Dissociation Constant (pKb)
6.34
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
17.86
8015-6345 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8015-6345 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)