4306-0597 Screening compound: 2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

4306-0597 Screening compound: 2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4306-0597 Screening compound: 2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4306-0597
2-amino-4-[2-(ethylsulfanyl)thiophen-3-yl]-7,7-dimethyl-1-(4-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

4306-0597

Molecular Formula

C25H27N3OS2 (C25 H27 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCSc1c(C(C2=C3CC(C)(C)CC2=O)C(C#N)=C(N)N3c2ccc(C)cc2)ccs1

InChI

InChI=1S/C25H27N3OS2/c1-5-30-24-17(10-11-31-24)21-18(14-26)23(27)28(16-8-6-15(2)7-9-16)19-12-25(3,4)13-20(29)22(19)21/h6-11,21H,5,12-13,27H2,1-4H3/t21-/m1/s1

InChI Key

FUNATDDWEPRKAE-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14709944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.194

Distribution Coefficient, logD

5.194

Water Solubility, LogSw

-5.08

Polar Surface Area

53.395

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

4306-0597 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 4306-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4306-0597?
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What is the minimum amount of 4306-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4306-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4306-0597
  • 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 4306-0597 available by request