8007-6811 Screening compound: 2-amino-7,7-dimethyl-5-oxo-4-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

8007-6811 Screening compound: 2-amino-7,7-dimethyl-5-oxo-4-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
8007-6811 Screening compound: 2-amino-7,7-dimethyl-5-oxo-4-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6811
2-amino-7,7-dimethyl-5-oxo-4-(2-thienyl)-1-[3-(trifluoromethyl)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

8007-6811

Molecular Formula

C23H20F3N3OS (C23 H20 F3 N3 OS)

Compound Name

2-amino-7,7-dimethyl-5-oxo-4-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

IUPAC name

2-amino-77-dimethyl-5-oxo-4-(thiophen-2-yl)-1-[3-(trifluoromethyl)phenyl]-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(C)(C1)CC(N(c2cc(C(F)(F)F)ccc2)C(N)=C(C2c3cccs3)C#N)=C2C1=O

InChI

InChI=1S/C23H20F3N3OS/c1-22(2)10-16-20(17(30)11-22)19(18-7-4-8-31-18)15(12-27)21(28)29(16)14-6-3-5-13(9-14)23(24,25)26/h3-9,19H,10-11,28H2,1-2H3/t19-/m0/s1

InChI Key

GLKQJNUAPGNSHR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01239432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.254

Water Solubility, LogSw

-4.62

Polar Surface Area

53.395

Acid Dissociation Constant (pKa)

16.50

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

8007-6811 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 8007-6811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6811?
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What is the minimum amount of 8007-6811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6811
  • 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 8007-6811 available by request