2431-3881 Screening compound: 4-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

2431-3881 Screening compound: 4-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2431-3881 Screening compound: 4-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2431-3881
4-[4-(diethylamino)phenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-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

2431-3881

Molecular Formula

C28H31N3O2 (C28 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1ccc(C2C(C#N)=C(C)NC(CC(C3)c(cc4)ccc4OC)=C2C3=O)cc1

InChI

InChI=1S/C28H31N3O2/c1-5-31(6-2)22-11-7-20(8-12-22)27-24(17-29)18(3)30-25-15-21(16-26(32)28(25)27)19-9-13-23(33-4)14-10-19/h7-14,21,27,30H,5-6,15-16H2,1-4H3

InChI Key

MCHNALAQIYTEHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01529767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

2.135

Water Solubility, LogSw

-5.15

Polar Surface Area

50.986

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.70

2431-3881 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 2431-3881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2431-3881?
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What is the minimum amount of 2431-3881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2431-3881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2431-3881
  • 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 2431-3881 available by request