6187-1154 Screening compound: 2-{[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid

6187-1154 Screening compound: 2-{[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid
6187-1154 Screening compound: 2-{[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6187-1154
2-{[3-cyano-6-(4-propoxyphenyl)-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

6187-1154

Molecular Formula

C18H15F3N2O3S (C18 H15 F3 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1-c(nc1SCC(O)=O)cc(C(F)(F)F)c1C#N

InChI

InChI=1S/C18H15F3N2O3S/c1-2-7-26-12-5-3-11(4-6-12)15-8-14(18(19,20)21)13(9-22)17(23-15)27-10-16(24)25/h3-6,8H,2,7,10H2,1H3,(H,24,25)

InChI Key

YERCAVAWDZGQPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

1.379

Water Solubility, LogSw

-4.67

Polar Surface Area

61.572

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

6187-1154 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 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
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6187-1154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6187-1154?
Check Price and Availability of 6187-1154, 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 6187-1154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6187-1154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6187-1154
  • 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 6187-1154 available by request