2648-4225 Screening compound: 2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

2648-4225 Screening compound: 2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2648-4225 Screening compound: 2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2648-4225
2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)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

2648-4225

Molecular Formula

C26H26N2O2 (C26 H26 N2 O2)

Compound Name

2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-methyl-5-oxo-7-phenyl-4-[2-(propan-2-yloxy)phenyl]-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)Oc1c(C2C(C#N)=C(C)NC(CC(C3)c4ccccc4)=C2C3=O)cccc1

InChI

InChI=1S/C26H26N2O2/c1-16(2)30-24-12-8-7-11-20(24)25-21(15-27)17(3)28-22-13-19(14-23(29)26(22)25)18-9-5-4-6-10-18/h4-12,16,19,25,28H,13-14H2,1-3H3

InChI Key

CERIFGDJDRSVNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.213

Distribution Coefficient, logD

2.119

Water Solubility, LogSw

-5.04

Polar Surface Area

47.595

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.80

2648-4225 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 2648-4225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2648-4225?
Check Price and Availability of 2648-4225, 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 2648-4225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2648-4225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2648-4225
  • 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 2648-4225 available by request