8020-4556 Screening compound: 2-amino-4-(2,5-dimethylphenyl)-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

8020-4556 Screening compound: 2-amino-4-(2,5-dimethylphenyl)-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
8020-4556 Screening compound: 2-amino-4-(2,5-dimethylphenyl)-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4556
2-amino-4-(2,5-dimethylphenyl)-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

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

8020-4556

Molecular Formula

C25H25N3O (C25 H25 N3 O)

Compound Name

2-amino-4-(2,5-dimethylphenyl)-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

IUPAC name

2-amino-4-(25-dimethylphenyl)-1-(2-methylphenyl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

Cc1cc(C(C2=C3CCCC2=O)C(C#N)=C(N)N3c2c(C)cccc2)c(C)cc1

InChI

InChI=1S/C25H25N3O/c1-15-11-12-16(2)18(13-15)23-19(14-26)25(27)28(20-8-5-4-7-17(20)3)21-9-6-10-22(29)24(21)23/h4-5,7-8,11-13,23H,6,9-10,27H2,1-3H3/t23-/m1/s1

InChI Key

NPRBGPYXPDMPPK-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03872410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.611

Distribution Coefficient, logD

4.611

Water Solubility, LogSw

-4.55

Polar Surface Area

52.076

Acid Dissociation Constant (pKa)

15.40

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

8020-4556 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 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 8020-4556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4556?
Check Price and Availability of 8020-4556, 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 8020-4556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4556
  • 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 8020-4556 available by request