5490-0092 Screening compound: 3-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-chromen-4-one

5490-0092 Screening compound: 3-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-chromen-4-one
5490-0092 Screening compound: 3-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5490-0092
3-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]-6-methyl-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

5490-0092

Molecular Formula

C20H16O4 (C20 H16 O4)

Compound Name

3-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-chromen-4-one

IUPAC name

3-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-chromen-4-one

SMILES

Cc(cc1)cc2c1OC=C(/C=C/C(c(cc1)ccc1OC)=O)C2=O

InChI

InChI=1S/C20H16O4/c1-13-3-10-19-17(11-13)20(22)15(12-24-19)6-9-18(21)14-4-7-16(23-2)8-5-14/h3-12H,1-2H3

InChI Key

NLVORUBNQNGROV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03991817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.606

Distribution Coefficient, logD

3.606

Water Solubility, LogSw

-3.78

Polar Surface Area

41.651

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

5490-0092 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5490-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5490-0092?
Check Price and Availability of 5490-0092, 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 5490-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5490-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5490-0092
  • 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 5490-0092 available by request