Y040-1553 Screening compound: methyl 2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}-2-phenylacetate

Y040-1553 Screening compound: methyl 2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}-2-phenylacetate
Y040-1553 Screening compound: methyl 2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1553
methyl 2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}-2-phenylacetate

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

Y040-1553

Molecular Formula

C25H20O6 (C25 H20 O6)

Compound Name

methyl 2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}-2-phenylacetate

IUPAC name

methyl 2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}-2-phenylacetate

SMILES

COC(C(c1ccccc1)Oc(cc1)cc(O2)c1C(c(cc1)ccc1OC)=CC2=O)=O

InChI

InChI=1S/C25H20O6/c1-28-18-10-8-16(9-11-18)21-15-23(26)31-22-14-19(12-13-20(21)22)30-24(25(27)29-2)17-6-4-3-5-7-17/h3-15,24H,1-2H3/t24-/m1/s1

InChI Key

GINQDZKVPSDIRM-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03722447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.54

Polar Surface Area

55.596

Acid Dissociation Constant (pKa)

20.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

Y040-1553 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y040-1553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1553?
Check Price and Availability of Y040-1553, 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 Y040-1553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1553
  • 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 Y040-1553 available by request