6187-1462 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

6187-1462 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
6187-1462 Screening compound: 2-{[(2-fluorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1462
2-{[(2-fluorophenyl)methyl]sulfanyl}-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

6187-1462

Molecular Formula

C18H10F4N2S2 (C18 H10 F4 N2 S2)

Compound Name

2-{[(2-fluorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

IUPAC name

2-{[(2-fluorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

N#Cc(c(C(F)(F)F)cc(-c1cccs1)n1)c1SCc(cccc1)c1F

InChI

InChI=1S/C18H10F4N2S2/c19-14-5-2-1-4-11(14)10-26-17-12(9-23)13(18(20,21)22)8-15(24-17)16-6-3-7-25-16/h1-8H,10H2

InChI Key

WDEXFBYGGJIMHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00712399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.328

Distribution Coefficient, logD

6.328

Water Solubility, LogSw

-6.43

Polar Surface Area

26.517

Acid Dissociation Constant (pKa)

25.71

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6187-1462 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6187-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1462?
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What is the minimum amount of 6187-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1462
  • 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 6187-1462 available by request