Y040-7467 Screening compound: ethyl 2-(2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetamido)-4-phenylthiophene-3-carboxylate

Y040-7467 Screening compound: ethyl 2-(2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetamido)-4-phenylthiophene-3-carboxylate
Y040-7467 Screening compound: ethyl 2-(2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetamido)-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7467
ethyl 2-(2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetamido)-4-phenylthiophene-3-carboxylate

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

Y040-7467

Molecular Formula

C31H25NO7S (C31 H25 NO7 S)

Compound Name

ethyl 2-(2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetamido)-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-(2-{[4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl]oxy}acetamido)-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COc(cc2)cc(O3)c2C(c(cc2)ccc2OC)=CC3=O)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C31H25NO7S/c1-3-37-31(35)29-25(19-7-5-4-6-8-19)18-40-30(29)32-27(33)17-38-22-13-14-23-24(16-28(34)39-26(23)15-22)20-9-11-21(36-2)12-10-20/h4-16,18H,3,17H2,1-2H3,(H,32,33)

InChI Key

NRVYTRCNOMIPAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06763450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.497

Distribution Coefficient, logD

5.481

Water Solubility, LogSw

-5.58

Polar Surface Area

78.571

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-7.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.90

Y040-7467 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 Y040-7467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7467?
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What is the minimum amount of Y040-7467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7467
  • 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 Y040-7467 available by request