5468-1212 Screening compound: 3-(4-ethylphenoxy)-7-hydroxy-4H-chromen-4-one

5468-1212 Screening compound: 3-(4-ethylphenoxy)-7-hydroxy-4H-chromen-4-one
5468-1212 Screening compound: 3-(4-ethylphenoxy)-7-hydroxy-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5468-1212
3-(4-ethylphenoxy)-7-hydroxy-4H-chromen-4-one

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

5468-1212

Molecular Formula

C17H14O4 (C17 H14 O4)

Compound Name

3-(4-ethylphenoxy)-7-hydroxy-4H-chromen-4-one

IUPAC name

3-(4-ethylphenoxy)-7-hydroxy-4H-chromen-4-one

SMILES

CCc(cc1)ccc1OC1=COc(cc(cc2)O)c2C1=O

InChI

InChI=1S/C17H14O4/c1-2-11-3-6-13(7-4-11)21-16-10-20-15-9-12(18)5-8-14(15)17(16)19/h3-10,18H,2H2,1H3

InChI Key

XHFVKURISNJMFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01083282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.61

Polar Surface Area

45.187

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5468-1212 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5468-1212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5468-1212?
Check Price and Availability of 5468-1212, 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 5468-1212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5468-1212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5468-1212
  • 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 5468-1212 available by request