8009-3965 Screening compound: isopropyl 7-(4-chlorophenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8009-3965 Screening compound: isopropyl 7-(4-chlorophenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8009-3965 Screening compound: isopropyl 7-(4-chlorophenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3965
isopropyl 7-(4-chlorophenyl)-4-(4-fluorophenyl)-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

8009-3965

Molecular Formula

C26H25ClFNO3 (C26 H25 ClFNO3)

Compound Name

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

IUPAC name

propan-2-yl 7-(4-chlorophenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OC(C(C1c(cc2)ccc2F)=C(C)NC(CC(C2)c(cc3)ccc3Cl)=C1C2=O)=O

InChI

InChI=1S/C26H25ClFNO3/c1-14(2)32-26(31)23-15(3)29-21-12-18(16-4-8-19(27)9-5-16)13-22(30)25(21)24(23)17-6-10-20(28)11-7-17/h4-11,14,18,24,29H,12-13H2,1-3H3

InChI Key

PKVHEWOVDKIYOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.091

Distribution Coefficient, logD

1.610

Water Solubility, LogSw

-6.58

Polar Surface Area

44.082

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.77

References: we are preparing a list of scientific research reports with 8009-3965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3965?
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What is the minimum amount of 8009-3965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3965
  • 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 8009-3965 available by request