2732-4423 Screening compound: 2-phenoxyethyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2732-4423 Screening compound: 2-phenoxyethyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2732-4423 Screening compound: 2-phenoxyethyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2732-4423
2-phenoxyethyl 4-(2,3-dichlorophenyl)-2-methyl-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

2732-4423

Molecular Formula

C31H27Cl2NO4 (C31 H27 Cl2 NO4)

Compound Name

2-phenoxyethyl 4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-phenoxyethyl 4-(23-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c3cccc(Cl)c3Cl)C1=O)=C2C(OCCOc1ccccc1)=O

InChI

InChI=1S/C31H27Cl2NO4/c1-19-27(31(36)38-16-15-37-22-11-6-3-7-12-22)28(23-13-8-14-24(32)30(23)33)29-25(34-19)17-21(18-26(29)35)20-9-4-2-5-10-20/h2-14,21,28,34H,15-18H2,1H3

InChI Key

JKQYKKCDQYBEDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.395

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-6.57

Polar Surface Area

51.844

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.60

2732-4423 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 2732-4423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2732-4423?
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What is the minimum amount of 2732-4423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2732-4423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2732-4423
  • 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 2732-4423 available by request