5490-0094 Screening compound: 3-[(1E)-3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-chromen-4-one

5490-0094 Screening compound: 3-[(1E)-3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-chromen-4-one
5490-0094 Screening compound: 3-[(1E)-3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl]-6-methyl-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5490-0094
3-[(1E)-3-(4-chlorophenyl)-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

5490-0094

Molecular Formula

C19H13ClO3 (C19 H13 ClO3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1OC=C(/C=C/C(c(cc1)ccc1Cl)=O)C2=O

InChI

InChI=1S/C19H13ClO3/c1-12-2-9-18-16(10-12)19(22)14(11-23-18)5-8-17(21)13-3-6-15(20)7-4-13/h2-11H,1H3

InChI Key

MTNDIQBMIIEEKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03991830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.219

Distribution Coefficient, logD

4.219

Water Solubility, LogSw

-4.50

Polar Surface Area

34.107

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

5490-0094 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5490-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5490-0094?
Check Price and Availability of 5490-0094, 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 5490-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5490-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5490-0094
  • 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 5490-0094 available by request