8007-2609 Screening compound: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8007-2609 Screening compound: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8007-2609 Screening compound: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2609
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(4-methoxyphenyl)-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

8007-2609

Molecular Formula

C24H19ClF3N3O2 (C24 H19 ClF3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C2=C3CCCC2=O)C(C#N)=C(N)N3c(cc(C(F)(F)F)cc2)c2Cl)cc1

InChI

InChI=1S/C24H19ClF3N3O2/c1-33-15-8-5-13(6-9-15)21-16(12-29)23(30)31(18-3-2-4-20(32)22(18)21)19-11-14(24(26,27)28)7-10-17(19)25/h5-11,21H,2-4,30H2,1H3/t21-/m0/s1

InChI Key

CUOAHTVMZVYWRK-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01113614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.429

Distribution Coefficient, logD

4.429

Water Solubility, LogSw

-4.74

Polar Surface Area

59.620

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8007-2609 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 8007-2609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2609?
Check Price and Availability of 8007-2609, 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 8007-2609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2609
  • 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 8007-2609 available by request