Y040-4611 Screening compound: methyl 2-[(4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate

Y040-4611 Screening compound: methyl 2-[(4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate
Y040-4611 Screening compound: methyl 2-[(4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4611
methyl 2-[(4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate

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

Y040-4611

Molecular Formula

C18H14O6 (C18 H14 O6)

Compound Name

methyl 2-[(4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate

IUPAC name

methyl 2-[(4-oxo-3-phenoxy-4H-chromen-7-yl)oxy]acetate

SMILES

COC(COc(cc1)cc(OC=C2Oc3ccccc3)c1C2=O)=O

InChI

InChI=1S/C18H14O6/c1-21-17(19)11-22-13-7-8-14-15(9-13)23-10-16(18(14)20)24-12-5-3-2-4-6-12/h2-10H,11H2,1H3

InChI Key

MXCJBVTXMZZCPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00703584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-3.02

Polar Surface Area

55.648

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y040-4611 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-4611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4611?
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What is the minimum amount of Y040-4611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4611
  • 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 Y040-4611 available by request