5994-0036 Screening compound: 2-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinolin-8-ol

5994-0036 Screening compound: 2-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinolin-8-ol
5994-0036 Screening compound: 2-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5994-0036
2-[(1E)-2-(3-hydroxy-4-methoxyphenyl)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

5994-0036

Molecular Formula

C18H15NO3 (C18 H15 NO3)

Compound Name

2-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinolin-8-ol

IUPAC name

2-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]quinolin-8-ol

SMILES

COc(ccc(/C=C/c(ccc1ccc2)nc1c2O)c1)c1O

InChI

InChI=1S/C18H15NO3/c1-22-17-10-6-12(11-16(17)21)5-8-14-9-7-13-3-2-4-15(20)18(13)19-14/h2-11,20-21H,1H3

InChI Key

WXSCVYJSVRNEBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02378326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-3.73

Polar Surface Area

50.290

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

5994-0036 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5994-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5994-0036?
Check Price and Availability of 5994-0036, 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 5994-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5994-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5994-0036
  • 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 5994-0036 available by request