6187-1477 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

6187-1477 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile
6187-1477 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1477
2-{[(4-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

6187-1477

Molecular Formula

C18H10F4N2S2 (C18 H10 F4 N2 S2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(c(C(F)(F)F)cc(-c1cccs1)n1)c1SCc(cc1)ccc1F

InChI

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

InChI Key

RHIGILDDKITJSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04441478

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

5.793

Distribution Coefficient, logD

5.793

Water Solubility, LogSw

-6.30

Polar Surface Area

26.517

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6187-1477 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6187-1477 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 6187-1477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1477
  • 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 6187-1477 available by request