6000-1354 Screening compound: 2-{[6-(4-chlorophenyl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
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 Key
MDL Number (MFCD)
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
- 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
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.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)