4896-5380 Screening compound: 2-[(1E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-8-ol

4896-5380 Screening compound: 2-[(1E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-8-ol
4896-5380 Screening compound: 2-[(1E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-5380
2-[(1E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-8-ol

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

4896-5380

Molecular Formula

C17H11ClFNO (C17 H11 ClFNO)

Compound Name

2-[(1E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-8-ol

IUPAC name

2-[(1E)-2-(2-chloro-6-fluorophenyl)ethenyl]quinolin-8-ol

SMILES

Oc1c2nc(/C=C/c(c(F)ccc3)c3Cl)ccc2ccc1

InChI

InChI=1S/C17H11ClFNO/c18-14-4-2-5-15(19)13(14)10-9-12-8-7-11-3-1-6-16(21)17(11)20-12/h1-10,21H

InChI Key

HTZQBTSTUKBGDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02376248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.73

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.542

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.38

Polar Surface Area

26.111

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4896-5380 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4896-5380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-5380?
Check Price and Availability of 4896-5380, 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 4896-5380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-5380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-5380
  • 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 4896-5380 available by request