Y040-1771 Screening compound: 7-[(4-chlorophenyl)methoxy]-3,4-dimethyl-2H-chromen-2-one

Y040-1771 Screening compound: 7-[(4-chlorophenyl)methoxy]-3,4-dimethyl-2H-chromen-2-one
Y040-1771 Screening compound: 7-[(4-chlorophenyl)methoxy]-3,4-dimethyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1771
7-[(4-chlorophenyl)methoxy]-3,4-dimethyl-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

Y040-1771

Molecular Formula

C18H15ClO3 (C18 H15 ClO3)

Compound Name

7-[(4-chlorophenyl)methoxy]-3,4-dimethyl-2H-chromen-2-one

IUPAC name

7-[(4-chlorophenyl)methoxy]-34-dimethyl-2H-chromen-2-one

SMILES

CC(c(ccc(OCc(cc1)ccc1Cl)c1)c1O1)=C(C)C1=O

InChI

InChI=1S/C18H15ClO3/c1-11-12(2)18(20)22-17-9-15(7-8-16(11)17)21-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3

InChI Key

LVUUTOUXLZZNQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.77

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

4.587

Distribution Coefficient, logD

4.587

Water Solubility, LogSw

-4.89

Polar Surface Area

28.388

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y040-1771 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-1771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1771?
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What is the minimum amount of Y040-1771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1771
  • 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 Y040-1771 available by request