6000-1919 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid

6000-1919 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
6000-1919 Screening compound: 2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6000-1919
2-{[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid

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

6000-1919

Molecular Formula

C15H8F4N2O2S (C15 H8 F4 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H8F4N2O2S/c16-9-3-1-8(2-4-9)12-5-11(15(17,18)19)10(6-20)14(21-12)24-7-13(22)23/h1-5H,7H2,(H,22,23)

InChI Key

MVIYBVXLGGEINV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04441852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.914

Distribution Coefficient, logD

0.449

Water Solubility, LogSw

-4.33

Polar Surface Area

54.154

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6000-1919 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6000-1919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6000-1919?
Check Price and Availability of 6000-1919, 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 6000-1919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6000-1919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6000-1919
  • 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 6000-1919 available by request