4781-0084 Screening compound: N-(2-chlorophenyl)-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

4781-0084 Screening compound: N-(2-chlorophenyl)-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
4781-0084 Screening compound: N-(2-chlorophenyl)-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4781-0084
N-(2-chlorophenyl)-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-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

4781-0084

Molecular Formula

C24H20Cl2N2O3 (C24 H20 Cl2 N2 O3)

Compound Name

N-(2-chlorophenyl)-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-(2-chlorophenyl)-1-(4-chlorophenyl)-77-dimethyl-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2Cl)C(C(C(Nc(cccc2)c2Cl)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C24H20Cl2N2O3/c1-24(2)12-20-16(21(29)13-24)11-17(22(30)27-19-6-4-3-5-18(19)26)23(31)28(20)15-9-7-14(25)8-10-15/h3-11H,12-13H2,1-2H3,(H,27,30)

InChI Key

ZKRFSWMZQSSWID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02905538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

4.050

Water Solubility, LogSw

-4.34

Polar Surface Area

50.973

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

4781-0084 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4781-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4781-0084?
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What is the minimum amount of 4781-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4781-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4781-0084
  • 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 4781-0084 available by request