4023-0164 Screening compound: 4-(3-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

4023-0164 Screening compound: 4-(3-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4023-0164 Screening compound: 4-(3-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4023-0164
4-(3-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

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

4023-0164

Molecular Formula

C29H23ClF2N2O2 (C29 H23 ClF2 N2 O2)

Compound Name

4-(3-chlorophenyl)-N-(2,4-difluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

4-(3-chlorophenyl)-N-(24-difluorophenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c3cccc(Cl)c3)C1=O)=C2C(Nc(ccc(F)c1)c1F)=O

InChI

InChI=1S/C29H23ClF2N2O2/c1-16-26(29(36)34-23-11-10-21(31)15-22(23)32)27(18-8-5-9-20(30)12-18)28-24(33-16)13-19(14-25(28)35)17-6-3-2-4-7-17/h2-12,15,19,27,33H,13-14H2,1H3,(H,34,36)

InChI Key

UQSYHAASEFULNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.350

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-6.26

Polar Surface Area

46.043

Acid Dissociation Constant (pKa)

5.27

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.20

4023-0164 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 4023-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4023-0164?
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What is the minimum amount of 4023-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4023-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4023-0164
  • 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 4023-0164 available by request