2539-4055 Screening compound: 2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2539-4055 Screening compound: 2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2539-4055 Screening compound: 2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2539-4055
2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-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

2539-4055

Molecular Formula

C34H34ClNO5 (C34 H34 ClNO5)

Compound Name

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

IUPAC name

2-phenoxyethyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-propoxyphenyl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOc1c(C2C(C(CC(C3)c(cc4)ccc4Cl)=O)=C3NC(C)=C2C(OCCOc2ccccc2)=O)cccc1

InChI

InChI=1S/C34H34ClNO5/c1-3-17-40-30-12-8-7-11-27(30)32-31(34(38)41-19-18-39-26-9-5-4-6-10-26)22(2)36-28-20-24(21-29(37)33(28)32)23-13-15-25(35)16-14-23/h4-16,24,32,36H,3,17-21H2,1-2H3

InChI Key

IBBPXOSLUYBARN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01590168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.1

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.899

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-6.52

Polar Surface Area

59.348

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.40

2539-4055 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 2539-4055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2539-4055?
Check Price and Availability of 2539-4055, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2539-4055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2539-4055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2539-4055
  • 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 2539-4055 available by request