8006-8502 Screening compound: vinyl 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl}acetate

8006-8502 Screening compound: vinyl 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl}acetate
8006-8502 Screening compound: vinyl 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8502
vinyl 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl}acetate

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

8006-8502

Molecular Formula

C17H11F3N2O2S (C17 H11 F3 N2 O2 S)

Compound Name

vinyl 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl}acetate

IUPAC name

ethenyl 2-{[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate

SMILES

C=COC(CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N)=O

InChI

InChI=1S/C17H11F3N2O2S/c1-2-24-15(23)10-25-16-12(9-21)13(17(18,19)20)8-14(22-16)11-6-4-3-5-7-11/h2-8H,1,10H2

InChI Key

RDKJFCAIJHLGKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00826997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.716

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.86

Polar Surface Area

46.206

Acid Dissociation Constant (pKa)

19.76

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

8006-8502 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8006-8502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8502?
Check Price and Availability of 8006-8502, 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 8006-8502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8502
  • 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 8006-8502 available by request