5509-0004 Screening compound: 4-[(1E)-2-(2-hydroxyphenyl)ethenyl]-1-methylquinolin-1-ium

5509-0004 Screening compound: 4-[(1E)-2-(2-hydroxyphenyl)ethenyl]-1-methylquinolin-1-ium
5509-0004 Screening compound: 4-[(1E)-2-(2-hydroxyphenyl)ethenyl]-1-methylquinolin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5509-0004
4-[(1E)-2-(2-hydroxyphenyl)ethenyl]-1-methylquinolin-1-ium

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

5509-0004

Molecular Formula

C18H16NO (C18 H16 NO)

Compound Name

4-[(1E)-2-(2-hydroxyphenyl)ethenyl]-1-methylquinolin-1-ium

IUPAC name

4-[(1E)-2-(2-hydroxyphenyl)ethenyl]-1-methylquinolin-1-ium

SMILES

C[n+]1ccc(/C=C/c(cccc2)c2O)c2ccccc12

InChI

InChI=1S/C18H15NO/c1-19-13-12-14(16-7-3-4-8-17(16)19)10-11-15-6-2-5-9-18(15)20/h2-13H,1H3/p+1

InChI Key

SPUYYCFQLHACCM-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD03827532

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.387

Distribution Coefficient, logD

4.285

Water Solubility, LogSw

-3.84

Polar Surface Area

18.163

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

5509-0004 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5509-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5509-0004?
Check Price and Availability of 5509-0004, 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 5509-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5509-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5509-0004
  • 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 5509-0004 available by request