8008-3737 Screening compound: 2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8008-3737 Screening compound: 2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8008-3737 Screening compound: 2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3737
2-amino-4-(4-fluorophenyl)-5-oxo-1-[3-(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

8008-3737

Molecular Formula

C23H17F4N3O (C23 H17 F4 N3 O)

Compound Name

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

IUPAC name

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

SMILES

NC(N(C(CCC1)=C(C2c(cc3)ccc3F)C1=O)c1cc(C(F)(F)F)ccc1)=C2C#N

InChI

InChI=1S/C23H17F4N3O/c24-15-9-7-13(8-10-15)20-17(12-28)22(29)30(18-5-2-6-19(31)21(18)20)16-4-1-3-14(11-16)23(25,26)27/h1,3-4,7-11,20H,2,5-6,29H2/t20-/m1/s1

InChI Key

OMKLXMSJHRRDTM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01306147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.4

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

3.953

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-4.39

Polar Surface Area

52.377

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

8008-3737 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 8008-3737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3737?
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What is the minimum amount of 8008-3737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3737
  • 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 8008-3737 available by request