Y040-0678 Screening compound: 7-[(3-chlorophenyl)methoxy]-2H-chromen-2-one

Y040-0678 Screening compound: 7-[(3-chlorophenyl)methoxy]-2H-chromen-2-one
Y040-0678 Screening compound: 7-[(3-chlorophenyl)methoxy]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0678
7-[(3-chlorophenyl)methoxy]-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

Y040-0678

Molecular Formula

C16H11ClO3 (C16 H11 ClO3)

Compound Name

7-[(3-chlorophenyl)methoxy]-2H-chromen-2-one

IUPAC name

7-[(3-chlorophenyl)methoxy]-2H-chromen-2-one

SMILES

O=C1Oc(cc(cc2)OCc3cccc(Cl)c3)c2C=C1

InChI

InChI=1S/C16H11ClO3/c17-13-3-1-2-11(8-13)10-19-14-6-4-12-5-7-16(18)20-15(12)9-14/h1-9H,10H2

InChI Key

HZFLKVRMMUIWOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02079581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

3.979

Water Solubility, LogSw

-4.29

Polar Surface Area

27.873

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

Y040-0678 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y040-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0678?
Check Price and Availability of Y040-0678, 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 Y040-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0678
  • 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 Y040-0678 available by request