4306-0296 Screening compound: 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

4306-0296 Screening compound: 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4306-0296 Screening compound: 2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4306-0296
2-amino-4-[5-ethyl-2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-5-oxo-1-(pyridin-3-yl)-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

4306-0296

Molecular Formula

C25H28N4OS2 (C25 H28 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCc1cc(C(C2=C3CC(C)(C)CC2=O)C(C#N)=C(N)N3c2cnccc2)c(SCC)s1

InChI

InChI=1S/C25H28N4OS2/c1-5-16-10-17(24(32-16)31-6-2)21-18(13-26)23(27)29(15-8-7-9-28-14-15)19-11-25(3,4)12-20(30)22(19)21/h7-10,14,21H,5-6,11-12,27H2,1-4H3/t21-/m1/s1

InChI Key

DBCBMPBPJLPINJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03933904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.764

Distribution Coefficient, logD

4.764

Water Solubility, LogSw

-4.49

Polar Surface Area

62.913

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

4306-0296 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 4306-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4306-0296?
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What is the minimum amount of 4306-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4306-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4306-0296
  • 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 4306-0296 available by request