6187-1068 Screening compound: 2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

6187-1068 Screening compound: 2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
6187-1068 Screening compound: 2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1068
2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

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

6187-1068

Molecular Formula

C22H15F4N3OS (C22 H15 F4 N3 OS)

Compound Name

2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

IUPAC name

2-{[3-cyano-6-(4-methylphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

SMILES

Cc(cc1)ccc1-c(nc1SCC(Nc(cccc2)c2F)=O)cc(C(F)(F)F)c1C#N

InChI

InChI=1S/C22H15F4N3OS/c1-13-6-8-14(9-7-13)19-10-16(22(24,25)26)15(11-27)21(29-19)31-12-20(30)28-18-5-3-2-4-17(18)23/h2-10H,12H2,1H3,(H,28,30)

InChI Key

CCGAUSVHRSOZDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.999

Distribution Coefficient, logD

5.999

Water Solubility, LogSw

-5.54

Polar Surface Area

47.950

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

6187-1068 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 6187-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1068?
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What is the minimum amount of 6187-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1068
  • 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 6187-1068 available by request