8007-4867 Screening compound: 2-amino-5-oxo-4-(thiophen-3-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8007-4867 Screening compound: 2-amino-5-oxo-4-(thiophen-3-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8007-4867 Screening compound: 2-amino-5-oxo-4-(thiophen-3-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4867
2-amino-5-oxo-4-(thiophen-3-yl)-1-[2-(trifluoromethyl)phenyl]-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

8007-4867

Molecular Formula

C21H16F3N3OS (C21 H16 F3 N3 OS)

Compound Name

2-amino-5-oxo-4-(thiophen-3-yl)-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

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

SMILES

NC(N(C(CCC1)=C(C2c3cscc3)C1=O)c1c(C(F)(F)F)cccc1)=C2C#N

InChI

InChI=1S/C21H16F3N3OS/c22-21(23,24)14-4-1-2-5-15(14)27-16-6-3-7-17(28)19(16)18(12-8-9-29-11-12)13(10-25)20(27)26/h1-2,4-5,8-9,11,18H,3,6-7,26H2/t18-/m1/s1

InChI Key

XNPZZNHPVNJQSF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01239435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.44

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

3.755

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-4.42

Polar Surface Area

53.094

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

-4.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

8007-4867 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 8007-4867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4867?
Check Price and Availability of 8007-4867, 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 8007-4867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4867
  • 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 8007-4867 available by request