6000-1354 Screening compound: 2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid

6000-1354 Screening compound: 2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
6000-1354 Screening compound: 2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6000-1354
2-{[6-(4-chlorophenyl)-3-cyano-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

6000-1354

Molecular Formula

C15H8ClF3N2O2S (C15 H8 ClF3 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(c(C(F)(F)F)cc(-c(cc1)ccc1Cl)n1)c1SCC(O)=O

InChI

InChI=1S/C15H8ClF3N2O2S/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

RAAQFQAWKVLAMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04441612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.75

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

4.479

Distribution Coefficient, logD

1.014

Water Solubility, LogSw

-4.73

Polar Surface Area

54.154

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6000-1354 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6000-1354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6000-1354?
Check Price and Availability of 6000-1354, 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 6000-1354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6000-1354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6000-1354
  • 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 6000-1354 available by request