8020-4579 Screening compound: 2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8020-4579 Screening compound: 2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8020-4579 Screening compound: 2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4579
2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-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

8020-4579

Molecular Formula

C30H27ClF3N5O (C30 H27 ClF3 N5 O)

Compound Name

2-amino-1-(3-chloro-4-methylphenyl)-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-1-(3-chloro-4-methylphenyl)-4-(25-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc1cc(C(C2=C3CCCC2=O)C(C#N)=C(N)N3c2cc(Cl)c(C)cc2)c(C)c(Cn2nc(C(F)(F)F)cc2)c1

InChI

InChI=1S/C30H27ClF3N5O/c1-16-11-19(15-38-10-9-26(37-38)30(32,33)34)18(3)21(12-16)27-22(14-35)29(36)39(20-8-7-17(2)23(31)13-20)24-5-4-6-25(40)28(24)27/h7-13,27H,4-6,15,36H2,1-3H3/t27-/m0/s1

InChI Key

SRGQFYCBOQHXKS-MHZLTWQESA-N

MDL Number (MFCD)

MFCD06147600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.03

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.966

Distribution Coefficient, logD

5.966

Water Solubility, LogSw

-6.05

Polar Surface Area

66.765

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8020-4579 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8020-4579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4579?
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What is the minimum amount of 8020-4579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4579
  • 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 8020-4579 available by request