8013-7120 Screening compound: isopropyl 4-(4-chlorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8013-7120 Screening compound: isopropyl 4-(4-chlorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8013-7120 Screening compound: isopropyl 4-(4-chlorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7120
isopropyl 4-(4-chlorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-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

8013-7120

Molecular Formula

C27H28ClNO4 (C27 H28 ClNO4)

Compound Name

isopropyl 4-(4-chlorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

propan-2-yl 4-(4-chlorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OC(C(C1c(cc2)ccc2Cl)=C(C)NC(CC(C2)c(cccc3)c3OC)=C1C2=O)=O

InChI

InChI=1S/C27H28ClNO4/c1-15(2)33-27(31)24-16(3)29-21-13-18(20-7-5-6-8-23(20)32-4)14-22(30)26(21)25(24)17-9-11-19(28)12-10-17/h5-12,15,18,25,29H,13-14H2,1-4H3

InChI Key

GWVNGQIBRMMOST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03371014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.98

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.215

Distribution Coefficient, logD

1.735

Water Solubility, LogSw

-6.55

Polar Surface Area

51.713

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8013-7120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7120?
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What is the minimum amount of 8013-7120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7120
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8013-7120 available by request