8013-7043 Screening compound: cyclopentyl 4-(3-chlorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8013-7043 Screening compound: cyclopentyl 4-(3-chlorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8013-7043 Screening compound: cyclopentyl 4-(3-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 8013-7043
cyclopentyl 4-(3-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

8013-7043

Molecular Formula

C29H30ClNO4 (C29 H30 ClNO4)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CC(C1)c(cccc2)c2OC)=C(C2c3cccc(Cl)c3)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C29H30ClNO4/c1-17-26(29(33)35-21-10-3-4-11-21)27(18-8-7-9-20(30)14-18)28-23(31-17)15-19(16-24(28)32)22-12-5-6-13-25(22)34-2/h5-9,12-14,19,21,27,31H,3-4,10-11,15-16H2,1-2H3

InChI Key

IINUICUEPWMUFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.01

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

6.539

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-6.29

Polar Surface Area

51.730

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.93

References: we are preparing a list of scientific research reports with 8013-7043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7043?
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What is the minimum amount of 8013-7043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7043
  • 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 8013-7043 available by request