8007-4772 Screening compound: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8007-4772 Screening compound: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8007-4772 Screening compound: 2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4772
2-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(3,4-dimethoxyphenyl)-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

8007-4772

Molecular Formula

C25H21ClF3N3O3 (C25 H21 ClF3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(C1=C2CCCC1=O)C(C#N)=C(N)N2c(cc(C(F)(F)F)cc1)c1Cl)c1)c1OC

InChI

InChI=1S/C25H21ClF3N3O3/c1-34-20-9-6-13(10-21(20)35-2)22-15(12-30)24(31)32(17-4-3-5-19(33)23(17)22)18-11-14(25(27,28)29)7-8-16(18)26/h6-11,22H,3-5,31H2,1-2H3/t22-/m0/s1

InChI Key

YKWYIJKNTLDCBS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01304810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.69

Polar Surface Area

67.337

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

8007-4772 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 8007-4772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4772?
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What is the minimum amount of 8007-4772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4772
  • 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 8007-4772 available by request