8007-1021 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

8007-1021 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
8007-1021 Screening compound: 2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-1021
2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-phenyl-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

8007-1021

Molecular Formula

C24H23N3O3 (C24 H23 N3 O3)

Compound Name

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

IUPAC name

2-amino-4-(34-dimethoxyphenyl)-5-oxo-1-phenyl-145678-hexahydroquinoline-3-carbonitrile

SMILES

COc(ccc(C(C1=C2CCCC1=O)C(C#N)=C(N)N2c1ccccc1)c1)c1OC

InChI

InChI=1S/C24H23N3O3/c1-29-20-12-11-15(13-21(20)30-2)22-17(14-25)24(26)27(16-7-4-3-5-8-16)18-9-6-10-19(28)23(18)22/h3-5,7-8,11-13,22H,6,9-10,26H2,1-2H3/t22-/m1/s1

InChI Key

ZWZLBSMFUZMRKU-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00828370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-3.06

Polar Surface Area

67.638

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8007-1021 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 8007-1021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-1021?
Check Price and Availability of 8007-1021, 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 8007-1021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-1021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-1021
  • 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 8007-1021 available by request