5451-0119 Screening compound: 3-chloro-2,5,6-trifluoro-4-[(4-phenylbut-3-yn-1-yl)oxy]pyridine

5451-0119 Screening compound: 3-chloro-2,5,6-trifluoro-4-[(4-phenylbut-3-yn-1-yl)oxy]pyridine
5451-0119 Screening compound: 3-chloro-2,5,6-trifluoro-4-[(4-phenylbut-3-yn-1-yl)oxy]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5451-0119
3-chloro-2,5,6-trifluoro-4-[(4-phenylbut-3-yn-1-yl)oxy]pyridine

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

5451-0119

Molecular Formula

C15H9ClF3NO (C15 H9 ClF3 NO)

Compound Name

3-chloro-2,5,6-trifluoro-4-[(4-phenylbut-3-yn-1-yl)oxy]pyridine

IUPAC name

3-chloro-256-trifluoro-4-[(4-phenylbut-3-yn-1-yl)oxy]pyridine

SMILES

Fc(c(F)nc(F)c1Cl)c1OCCC#Cc1ccccc1

InChI

InChI=1S/C15H9ClF3NO/c16-11-13(12(17)15(19)20-14(11)18)21-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,5,9H2

InChI Key

FRMOHGDHCBCLAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.69

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.139

Distribution Coefficient, logD

5.139

Water Solubility, LogSw

-5.74

Polar Surface Area

21.478

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

-10.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

5451-0119 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5451-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5451-0119?
Check Price and Availability of 5451-0119, 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 5451-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5451-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5451-0119
  • 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 5451-0119 available by request