8007-7429 Screening compound: 2-amino-4-(5-tert-butylthiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

8007-7429 Screening compound: 2-amino-4-(5-tert-butylthiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
8007-7429 Screening compound: 2-amino-4-(5-tert-butylthiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7429
2-amino-4-(5-tert-butylthiophen-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-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

8007-7429

Molecular Formula

C25H23ClF3N3OS (C25 H23 ClF3 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1ccc(C(C2=C3CCCC2=O)C(C#N)=C(N)N3c(cc(C(F)(F)F)cc2)c2Cl)s1

InChI

InChI=1S/C25H23ClF3N3OS/c1-24(2,3)20-10-9-19(34-20)21-14(12-30)23(31)32(16-5-4-6-18(33)22(16)21)17-11-13(25(27,28)29)7-8-15(17)26/h7-11,21H,4-6,31H2,1-3H3/t21-/m1/s1

InChI Key

YIDSHHCWISIMQS-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01240223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

6.036

Water Solubility, LogSw

-6.15

Polar Surface Area

53.094

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

-5.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

8007-7429 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 8007-7429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7429?
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What is the minimum amount of 8007-7429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7429
  • 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 8007-7429 available by request