2732-4417 Screening compound: 2-phenylethyl 4-(2-chlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2732-4417 Screening compound: 2-phenylethyl 4-(2-chlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2732-4417 Screening compound: 2-phenylethyl 4-(2-chlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2732-4417
2-phenylethyl 4-(2-chlorophenyl)-7-(4-methoxyphenyl)-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

2732-4417

Molecular Formula

C32H30ClNO4 (C32 H30 ClNO4)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CC(C1)c(cc2)ccc2OC)=C(C2c(cccc3)c3Cl)C1=O)=C2C(OCCc1ccccc1)=O

InChI

InChI=1S/C32H30ClNO4/c1-20-29(32(36)38-17-16-21-8-4-3-5-9-21)30(25-10-6-7-11-26(25)33)31-27(34-20)18-23(19-28(31)35)22-12-14-24(37-2)15-13-22/h3-15,23,30,34H,16-19H2,1-2H3

InChI Key

OPEUNFFSXZAQKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.05

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

7.323

Distribution Coefficient, logD

3.006

Water Solubility, LogSw

-6.32

Polar Surface Area

51.970

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

2732-4417 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2732-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2732-4417?
Check Price and Availability of 2732-4417, 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 2732-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2732-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2732-4417
  • 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 2732-4417 available by request