4296-0098 Screening compound: 4-(5-methylfuran-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

4296-0098 Screening compound: 4-(5-methylfuran-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
4296-0098 Screening compound: 4-(5-methylfuran-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0098
4-(5-methylfuran-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-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

4296-0098

Molecular Formula

C23H20N2O2S (C23 H20 N2 O2 S)

Compound Name

4-(5-methylfuran-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

IUPAC name

4-(5-methylfuran-2-yl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5678-tetrahydroquinoline-3-carbonitrile

SMILES

Cc1ccc(-c(c(CCCC2)c2nc2SCC(c3ccccc3)=O)c2C#N)o1

InChI

InChI=1S/C23H20N2O2S/c1-15-11-12-21(27-15)22-17-9-5-6-10-19(17)25-23(18(22)13-24)28-14-20(26)16-7-3-2-4-8-16/h2-4,7-8,11-12H,5-6,9-10,14H2,1H3

InChI Key

UASNJVUGFHWBKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01238975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.290

Distribution Coefficient, logD

5.290

Water Solubility, LogSw

-5.32

Polar Surface Area

48.260

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

4296-0098 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4296-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0098?
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What is the minimum amount of 4296-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0098
  • 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 4296-0098 available by request