8010-4104 Screening compound: 5-(methylsulfanyl)-3-phenyl-4-isothiazolecarbonitrile

8010-4104 Screening compound: 5-(methylsulfanyl)-3-phenyl-4-isothiazolecarbonitrile
8010-4104 Screening compound: 5-(methylsulfanyl)-3-phenyl-4-isothiazolecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4104
5-(methylsulfanyl)-3-phenyl-4-isothiazolecarbonitrile

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

8010-4104

Molecular Formula

C11H8N2S2 (C11 H8 N2 S2)

Compound Name

5-(methylsulfanyl)-3-phenyl-4-isothiazolecarbonitrile

IUPAC name

5-(methylsulfanyl)-3-phenyl-12-thiazole-4-carbonitrile

SMILES

CSc(snc1-c2ccccc2)c1C#N

InChI

InChI=1S/C11H8N2S2/c1-14-11-9(7-12)10(13-15-11)8-5-3-2-4-6-8/h2-6H,1H3

InChI Key

QQMGQRGVBAXBBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

232.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.343

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-3.57

Polar Surface Area

28.285

Acid Dissociation Constant (pKa)

31.98

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

8010-4104 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8010-4104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4104?
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What is the minimum amount of 8010-4104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4104
  • 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 8010-4104 available by request