8020-4812 Screening compound: 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8020-4812 Screening compound: 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8020-4812 Screening compound: 2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4812
2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-(pyridin-3-yl)-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

8020-4812

Molecular Formula

C23H22N4O (C23 H22 N4 O)

Compound Name

2-amino-4-(2,4-dimethylphenyl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-(24-dimethylphenyl)-5-oxo-1-(pyridin-3-yl)-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc1cc(C)c(C(C2=C3CCCC2=O)C(C#N)=C(N)N3c2cnccc2)cc1

InChI

InChI=1S/C23H22N4O/c1-14-8-9-17(15(2)11-14)21-18(12-24)23(25)27(16-5-4-10-26-13-16)19-6-3-7-20(28)22(19)21/h4-5,8-11,13,21H,3,6-7,25H2,1-2H3/t21-/m1/s1

InChI Key

UQXRBNUISHWNIR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03872377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-3.25

Polar Surface Area

61.895

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

8020-4812 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 8020-4812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4812?
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What is the minimum amount of 8020-4812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4812
  • 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 8020-4812 available by request