6187-1277 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide

6187-1277 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide
6187-1277 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1277
2-{[3-cyano-6-(4-fluorophenyl)-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

6187-1277

Molecular Formula

C21H13F4N3OS (C21 H13 F4 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(C(F)(F)F)cc(-c(cc2)ccc2F)nc1SCC(Nc1ccccc1)=O

InChI

InChI=1S/C21H13F4N3OS/c22-14-8-6-13(7-9-14)18-10-17(21(23,24)25)16(11-26)20(28-18)30-12-19(29)27-15-4-2-1-3-5-15/h1-10H,12H2,(H,27,29)

InChI Key

KYBGDEBGMURQMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04441933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.41

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

5.633

Distribution Coefficient, logD

5.633

Water Solubility, LogSw

-5.92

Polar Surface Area

48.648

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

6187-1277 in Drug Discovery

Included in Screening Libraries

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 6187-1277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1277?
Check Price and Availability of 6187-1277, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6187-1277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1277
  • 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 6187-1277 available by request