4306-0608 Screening compound: 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

4306-0608 Screening compound: 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4306-0608 Screening compound: 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4306-0608
2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(2-methylphenyl)-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

4306-0608

Molecular Formula

C27H31N3OS2 (C27 H31 N3 OS2)

Compound Name

2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-77-dimethyl-1-(2-methylphenyl)-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

CCc1cc(C(C2=C3CC(C)(C)CC2=O)C(C#N)=C(N)N3c2c(C)cccc2)c(SCC)s1

InChI

InChI=1S/C27H31N3OS2/c1-6-17-12-18(26(33-17)32-7-2)23-19(15-28)25(29)30(20-11-9-8-10-16(20)3)21-13-27(4,5)14-22(31)24(21)23/h8-12,23H,6-7,13-14,29H2,1-5H3/t23-/m1/s1

InChI Key

FOZPDJOHIFLWNB-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14709948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.193

Distribution Coefficient, logD

6.193

Water Solubility, LogSw

-5.46

Polar Surface Area

53.094

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

-3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

4306-0608 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 4306-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4306-0608?
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What is the minimum amount of 4306-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4306-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4306-0608
  • 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 4306-0608 available by request