2539-4060 Screening compound: cyclohexyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2539-4060 Screening compound: cyclohexyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2539-4060 Screening compound: cyclohexyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2539-4060
cyclohexyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-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

2539-4060

Molecular Formula

C31H34ClNO5 (C31 H34 ClNO5)

Compound Name

cyclohexyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclohexyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc(cc(C1C(C(CC(C2)c(cc3)ccc3Cl)=O)=C2NC(C)=C1C(OC1CCCCC1)=O)cc1)c1O

InChI

InChI=1S/C31H34ClNO5/c1-3-37-27-17-20(11-14-25(27)34)29-28(31(36)38-23-7-5-4-6-8-23)18(2)33-24-15-21(16-26(35)30(24)29)19-9-12-22(32)13-10-19/h9-14,17,21,23,29,33-34H,3-8,15-16H2,1-2H3

InChI Key

AREPECJUZZJLPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01590172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.930

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-6.16

Polar Surface Area

67.492

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.90

2539-4060 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2539-4060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2539-4060?
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What is the minimum amount of 2539-4060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2539-4060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2539-4060
  • 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 2539-4060 available by request