6187-1079 Screening compound: 6-(4-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

6187-1079 Screening compound: 6-(4-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
6187-1079 Screening compound: 6-(4-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1079
6-(4-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-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

6187-1079

Molecular Formula

C17H13F3N2OS (C17 H13 F3 N2 OS)

Compound Name

6-(4-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

IUPAC name

6-(4-methoxyphenyl)-2-(prop-2-en-1-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

SMILES

COc(cc1)ccc1-c(nc1SCC=C)cc(C(F)(F)F)c1C#N

InChI

InChI=1S/C17H13F3N2OS/c1-3-8-24-16-13(10-21)14(17(18,19)20)9-15(22-16)11-4-6-12(23-2)7-5-11/h3-7,9H,1,8H2,2H3

InChI Key

SWPBGCBVYRILMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03501046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.584

Distribution Coefficient, logD

5.584

Water Solubility, LogSw

-5.66

Polar Surface Area

33.314

Acid Dissociation Constant (pKa)

29.52

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 6187-1079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1079?
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What is the minimum amount of 6187-1079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1079
  • 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 6187-1079 available by request