2648-4226 Screening compound: 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

2648-4226 Screening compound: 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2648-4226 Screening compound: 4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2648-4226
4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

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

2648-4226

Molecular Formula

C23H19FN2O (C23 H19 FN2 O)

Compound Name

4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

4-(4-fluorophenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c(cc3)ccc3F)C1=O)=C2C#N

InChI

InChI=1S/C23H19FN2O/c1-14-19(13-25)22(16-7-9-18(24)10-8-16)23-20(26-14)11-17(12-21(23)27)15-5-3-2-4-6-15/h2-10,17,22,26H,11-12H2,1H3

InChI Key

PDNBVGHPHSDNCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.469

Distribution Coefficient, logD

1.375

Water Solubility, LogSw

-4.33

Polar Surface Area

40.706

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

2648-4226 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2648-4226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2648-4226?
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What is the minimum amount of 2648-4226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2648-4226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2648-4226
  • 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 2648-4226 available by request