2326-3331 Screening compound: 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

2326-3331 Screening compound: 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2326-3331 Screening compound: 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2326-3331
4-(2,5-dimethoxyphenyl)-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

2326-3331

Molecular Formula

C25H24N2O3 (C25 H24 N2 O3)

Compound Name

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

IUPAC name

4-(25-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(NC(CC(C1)c2ccccc2)=C(C2c(cc(cc3)OC)c3OC)C1=O)=C2C#N

InChI

InChI=1S/C25H24N2O3/c1-15-20(14-26)24(19-13-18(29-2)9-10-23(19)30-3)25-21(27-15)11-17(12-22(25)28)16-7-5-4-6-8-16/h4-10,13,17,24,27H,11-12H2,1-3H3

InChI Key

ZSEBQROJISCGGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01445609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.789

Distribution Coefficient, logD

1.696

Water Solubility, LogSw

-4.61

Polar Surface Area

55.880

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.00

2326-3331 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 2326-3331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2326-3331?
Check Price and Availability of 2326-3331, 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 2326-3331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2326-3331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2326-3331
  • 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 2326-3331 available by request