J042-0141 Screening compound: ethyl 4-(1-benzoyl-1,2,3,4-tetrahydroquinoline-6-amido)benzoate
Chemical Structure Depiction of ChemDiv screening compound J042-0141
ethyl 4-(1-benzoyl-1,2,3,4-tetrahydroquinoline-6-amido)benzoate
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
J042-0141
Molecular Formula
C26H24N2O4 (C26 H24 N2 O4)
Compound Name
ethyl 4-(1-benzoyl-1,2,3,4-tetrahydroquinoline-6-amido)benzoate
IUPAC name
ethyl 4-(1-benzoyl-1234-tetrahydroquinoline-6-amido)benzoate
SMILES
CCOC(c(cc1)ccc1NC(c(cc1)cc(CCC2)c1N2C(c1ccccc1)=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
428.49
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
4.841
Distribution Coefficient, logD
4.824
Water Solubility, LogSw
-4.41
Polar Surface Area
59.396
Acid Dissociation Constant (pKa)
8.78
Base Dissociation Constant (pKb)
-2.71
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
19.20
J042-0141 in Drug Discovery
Included in Screening Libraries
Cardiovascular Library (22201 compounds)
Included in 1.7M Stock Database
- Cardiovascular
References: we are preparing a list of scientific research reports with J042-0141 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)