6187-1089 Screening compound: 2-{[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide

6187-1089 Screening compound: 2-{[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide
6187-1089 Screening compound: 2-{[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1089
2-{[3-cyano-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-methylphenyl)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

6187-1089

Molecular Formula

C23H18F3N3O2S (C23 H18 F3 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(CSc1nc(-c(cc2)ccc2OC)cc(C(F)(F)F)c1C#N)=O

InChI

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

InChI Key

BXCISXLHYJJQOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02319956

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

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.201

Distribution Coefficient, logD

6.201

Water Solubility, LogSw

-5.55

Polar Surface Area

56.192

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

6187-1089 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with 6187-1089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1089?
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What is the minimum amount of 6187-1089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1089
  • 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 6187-1089 available by request