6187-1291 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide

6187-1291 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
6187-1291 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1291
2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-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

6187-1291

Molecular Formula

C21H12F5N3OS (C21 H12 F5 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(C(F)(F)F)cc(-c(cc2)ccc2F)nc1SCC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C21H12F5N3OS/c22-13-3-1-12(2-4-13)18-9-17(21(24,25)26)16(10-27)20(29-18)31-11-19(30)28-15-7-5-14(23)6-8-15/h1-9H,11H2,(H,28,30)

InChI Key

KSRLBPUFXXYMOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04442269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.4

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

5.853

Distribution Coefficient, logD

5.853

Water Solubility, LogSw

-6.01

Polar Surface Area

48.648

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 6187-1291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1291?
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What is the minimum amount of 6187-1291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1291
  • 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 6187-1291 available by request