6187-1284 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

6187-1284 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
6187-1284 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1284
2-{[3-cyano-6-(4-fluorophenyl)-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

6187-1284

Molecular Formula

C21H12F5N3OS (C21 H12 F5 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(C(F)(F)F)cc(-c(cc2)ccc2F)nc1SCC(Nc(cccc1)c1F)=O

InChI

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

InChI Key

HQVXTOSIPJLNIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04593043

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

5.604

Distribution Coefficient, logD

5.604

Water Solubility, LogSw

-5.88

Polar Surface Area

47.950

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with 6187-1284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1284?
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What is the minimum amount of 6187-1284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1284
  • 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 6187-1284 available by request