4223-6974 Screening compound: cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4223-6974 Screening compound: cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4223-6974 Screening compound: cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4223-6974
cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-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

4223-6974

Molecular Formula

C31H34FNO5 (C31 H34 FNO5)

Compound Name

cyclohexyl 7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclohexyl 7-(34-dimethoxyphenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c(cc2)cc(OC)c2OC)=C(C2c(cc3)ccc3F)C1=O)=C2C(OC1CCCCC1)=O

InChI

InChI=1S/C31H34FNO5/c1-18-28(31(35)38-23-7-5-4-6-8-23)29(19-9-12-22(32)13-10-19)30-24(33-18)15-21(16-25(30)34)20-11-14-26(36-2)27(17-20)37-3/h9-14,17,21,23,29,33H,4-8,15-16H2,1-3H3

InChI Key

CCXNBXWNUQWAJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.104

Distribution Coefficient, logD

1.624

Water Solubility, LogSw

-5.45

Polar Surface Area

58.994

Acid Dissociation Constant (pKa)

2.92

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.90

4223-6974 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 4223-6974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4223-6974?
Check Price and Availability of 4223-6974, 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 4223-6974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4223-6974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4223-6974
  • 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 4223-6974 available by request