8001-1428 Screening compound: 2-(methylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

8001-1428 Screening compound: 2-(methylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
8001-1428 Screening compound: 2-(methylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1428
2-(methylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-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

8001-1428

Molecular Formula

C12H7F3N2S2 (C12 H7 F3 N2 S2)

Compound Name

2-(methylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

IUPAC name

2-(methylsulfanyl)-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

CSc(nc(cc1C(F)(F)F)-c2cccs2)c1C#N

InChI

InChI=1S/C12H7F3N2S2/c1-18-11-7(6-16)8(12(13,14)15)5-9(17-11)10-3-2-4-19-10/h2-5H,1H3

InChI Key

HETLUNBJOGPUSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00107058

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-4.72

Polar Surface Area

26.789

Acid Dissociation Constant (pKa)

29.59

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8001-1428 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8001-1428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1428?
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What is the minimum amount of 8001-1428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1428
  • 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 8001-1428 available by request