Y040-6622 Screening compound: methyl 4-{[(7-{[4-(methoxycarbonyl)phenyl]methoxy}-2-oxo-4-phenyl-2H-chromen-5-yl)oxy]methyl}benzoate

Y040-6622 Screening compound: methyl 4-{[(7-{[4-(methoxycarbonyl)phenyl]methoxy}-2-oxo-4-phenyl-2H-chromen-5-yl)oxy]methyl}benzoate
Y040-6622 Screening compound: methyl 4-{[(7-{[4-(methoxycarbonyl)phenyl]methoxy}-2-oxo-4-phenyl-2H-chromen-5-yl)oxy]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6622
methyl 4-{[(7-{[4-(methoxycarbonyl)phenyl]methoxy}-2-oxo-4-phenyl-2H-chromen-5-yl)oxy]methyl}benzoate

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

Y040-6622

Molecular Formula

C33H26O8 (C33 H26 O8)

Compound Name

methyl 4-{[(7-{[4-(methoxycarbonyl)phenyl]methoxy}-2-oxo-4-phenyl-2H-chromen-5-yl)oxy]methyl}benzoate

IUPAC name

methyl 4-{[(7-{[4-(methoxycarbonyl)phenyl]methoxy}-2-oxo-4-phenyl-2H-chromen-5-yl)oxy]methyl}benzoate

SMILES

COC(c1ccc(COc(cc2OCc(cc3)ccc3C(OC)=O)cc(O3)c2C(c2ccccc2)=CC3=O)cc1)=O

InChI

InChI=1S/C33H26O8/c1-37-32(35)24-12-8-21(9-13-24)19-39-26-16-28(40-20-22-10-14-25(15-11-22)33(36)38-2)31-27(23-6-4-3-5-7-23)18-30(34)41-29(31)17-26/h3-18H,19-20H2,1-2H3

InChI Key

XILSWRBIMLZSBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02057446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.096

Distribution Coefficient, logD

6.096

Water Solubility, LogSw

-5.72

Polar Surface Area

77.264

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

Y040-6622 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 Y040-6622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6622?
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What is the minimum amount of Y040-6622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6622
  • 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 Y040-6622 available by request