8001-1404 Screening compound: 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide

8001-1404 Screening compound: 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide
8001-1404 Screening compound: 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1404
2-{[3-cyano-6-methyl-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

8001-1404

Molecular Formula

C16H12F3N3OS (C16 H12 F3 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(nc1SCC(Nc2ccccc2)=O)cc(C(F)(F)F)c1C#N

InChI

InChI=1S/C16H12F3N3OS/c1-10-7-13(16(17,18)19)12(8-20)15(21-10)24-9-14(23)22-11-5-3-2-4-6-11/h2-7H,9H2,1H3,(H,22,23)

InChI Key

XSLUVVQQOBJLET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00486816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.562

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-4.01

Polar Surface Area

48.726

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8001-1404 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8001-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1404?
Check Price and Availability of 8001-1404, 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 8001-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1404
  • 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 8001-1404 available by request