6187-1115 Screening compound: 2-{[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide

6187-1115 Screening compound: 2-{[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide
6187-1115 Screening compound: 2-{[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1115
2-{[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide

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

6187-1115

Molecular Formula

C23H18F3N3O2S (C23 H18 F3 N3 O2 S)

Compound Name

2-{[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[3-cyano-6-(4-ethoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide

SMILES

CCOc(cc1)ccc1-c(nc1SCC(Nc2ccccc2)=O)cc(C(F)(F)F)c1C#N

InChI

InChI=1S/C23H18F3N3O2S/c1-2-31-17-10-8-15(9-11-17)20-12-19(23(24,25)26)18(13-27)22(29-20)32-14-21(30)28-16-6-4-3-5-7-16/h3-12H,2,14H2,1H3,(H,28,30)

InChI Key

QPBAORMMCCDUHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04446171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.973

Distribution Coefficient, logD

5.973

Water Solubility, LogSw

-5.55

Polar Surface Area

55.772

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

6187-1115 in Drug Discovery

Included in Screening Libraries

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 6187-1115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1115?
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What is the minimum amount of 6187-1115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1115
  • 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 6187-1115 available by request