2786-4522 Screening compound: 2-phenylethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 2786-4522
2-phenylethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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
2786-4522
Molecular Formula
C32H28N2O7 (C32 H28 N2 O7)
Compound Name
2-phenylethyl 2-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
IUPAC name
2-phenylethyl 2-methyl-4-(6-nitro-2H-13-benzodioxol-5-yl)-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate
SMILES
CC(NC(CC(C1)c2ccccc2)=C(C2c(cc3OCOc3c3)c3[N+]([O-])=O)C1=O)=C2C(OCCc1ccccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
552.58
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
6.395
Distribution Coefficient, logD
1.915
Water Solubility, LogSw
-5.61
Polar Surface Area
94.622
Acid Dissociation Constant (pKa)
2.92
Base Dissociation Constant (pKb)
-2.86
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
25.00
References: we are preparing a list of scientific research reports with 2786-4522 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)