3653-0341 Screening compound: 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide

3653-0341 Screening compound: 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
3653-0341 Screening compound: 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-cyanophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3653-0341
2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-cyanophenyl)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

3653-0341

Molecular Formula

C22H13F3N4OS (C22 H13 F3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(cccc1)c1NC(CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N)=O

InChI

InChI=1S/C22H13F3N4OS/c23-22(24,25)17-10-19(14-6-2-1-3-7-14)29-21(16(17)12-27)31-13-20(30)28-18-9-5-4-8-15(18)11-26/h1-10H,13H2,(H,28,30)

InChI Key

CYUBTUZKTQQLEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01799395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.43

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

5.107

Distribution Coefficient, logD

5.106

Water Solubility, LogSw

-5.27

Polar Surface Area

65.007

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

3653-0341 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3653-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3653-0341?
Check Price and Availability of 3653-0341, 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 3653-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3653-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3653-0341
  • 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 3653-0341 available by request