Y040-0116 Screening compound: 6-chloro-7-[(4-methoxyphenyl)methoxy]-4-propyl-2H-chromen-2-one

Y040-0116 Screening compound: 6-chloro-7-[(4-methoxyphenyl)methoxy]-4-propyl-2H-chromen-2-one
Y040-0116 Screening compound: 6-chloro-7-[(4-methoxyphenyl)methoxy]-4-propyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0116
6-chloro-7-[(4-methoxyphenyl)methoxy]-4-propyl-2H-chromen-2-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

Y040-0116

Molecular Formula

C20H19ClO4 (C20 H19 ClO4)

Compound Name

6-chloro-7-[(4-methoxyphenyl)methoxy]-4-propyl-2H-chromen-2-one

IUPAC name

6-chloro-7-[(4-methoxyphenyl)methoxy]-4-propyl-2H-chromen-2-one

SMILES

CCCC(c(c(O1)c2)cc(Cl)c2OCc(cc2)ccc2OC)=CC1=O

InChI

InChI=1S/C20H19ClO4/c1-3-4-14-9-20(22)25-18-11-19(17(21)10-16(14)18)24-12-13-5-7-15(23-2)8-6-13/h5-11H,3-4,12H2,1-2H3

InChI Key

RJYCRMMFRZGLKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.394

Distribution Coefficient, logD

5.394

Water Solubility, LogSw

-6.10

Polar Surface Area

35.504

Acid Dissociation Constant (pKa)

27.41

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y040-0116 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
Targets:
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with Y040-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0116?
Check Price and Availability of Y040-0116, 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 Y040-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0116
  • 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 Y040-0116 available by request