5312-0086 Screening compound: N-(3,4-dimethylphenyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of ChemDiv screening compound 5312-0086
N-(3,4-dimethylphenyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-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
5312-0086
Molecular Formula
C27H28N2O3 (C27 H28 N2 O3)
Compound Name
N-(3,4-dimethylphenyl)-7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
IUPAC name
N-(34-dimethylphenyl)-77-dimethyl-1-(4-methylphenyl)-25-dioxo-125678-hexahydroquinoline-3-carboxamide
SMILES
CC(C)(C1)CC(N(c2ccc(C)cc2)C(C(C(Nc2cc(C)c(C)cc2)=O)=C2)=O)=C2C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
428.53
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.924
Distribution Coefficient, logD
4.919
Water Solubility, LogSw
-4.61
Polar Surface Area
51.671
Acid Dissociation Constant (pKa)
9.33
Base Dissociation Constant (pKb)
-2.86
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
29.60
5312-0086 in Drug Discovery
Included in Screening Libraries
C-Met Library (15277 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Endocrine
- Kinases
- Receptor's ligands
References: we are preparing a list of scientific research reports with 5312-0086 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)