Y041-4752 Screening compound: 2-(2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-phenylpropanoic acid

Y041-4752 Screening compound: 2-(2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-phenylpropanoic acid
Y041-4752 Screening compound: 2-(2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4752
2-(2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-phenylpropanoic acid

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

Y041-4752

Molecular Formula

C28H25NO8 (C28 H25 NO8)

Compound Name

2-(2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-phenylpropanoic acid

IUPAC name

(2S)-2-(2-{[3-(2-ethoxyphenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-phenylpropanoic acid

SMILES

CCOc(cccc1)c1OC1=COc(cc(cc2)OCC(NC(Cc3ccccc3)C(O)=O)=O)c2C1=O

InChI

InChI=1S/C28H25NO8/c1-2-34-22-10-6-7-11-23(22)37-25-16-36-24-15-19(12-13-20(24)27(25)31)35-17-26(30)29-21(28(32)33)14-18-8-4-3-5-9-18/h3-13,15-16,21H,2,14,17H2,1H3,(H,29,30)(H,32,33)/t21-/m0/s1

InChI Key

XPTIZTYDQZKFJH-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.871

Distribution Coefficient, logD

-0.720

Water Solubility, LogSw

-3.48

Polar Surface Area

94.604

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

Y041-4752 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-4752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4752?
Check Price and Availability of Y041-4752, 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 Y041-4752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4752
  • 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 Y041-4752 available by request