Y040-7714 Screening compound: ethyl 2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetate

Y040-7714 Screening compound: ethyl 2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetate
Y040-7714 Screening compound: ethyl 2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7714
ethyl 2-[(3-benzyl-4,8-dimethyl-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

Y040-7714

Molecular Formula

C28H26O5 (C28 H26 O5)

Compound Name

ethyl 2-[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetate

IUPAC name

ethyl 2-[(3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl)oxy]-2-phenylacetate

SMILES

CCOC(C(c1ccccc1)Oc(cc1)c(C)c(O2)c1C(C)=C(Cc1ccccc1)C2=O)=O

InChI

InChI=1S/C28H26O5/c1-4-31-28(30)26(21-13-9-6-10-14-21)32-24-16-15-22-18(2)23(17-20-11-7-5-8-12-20)27(29)33-25(22)19(24)3/h5-16,26H,4,17H2,1-3H3/t26-/m1/s1

InChI Key

HCQSOJOBQLMFGW-AREMUKBSSA-N

MDL Number (MFCD)

MFCD03719748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.406

Distribution Coefficient, logD

6.406

Water Solubility, LogSw

-5.92

Polar Surface Area

47.917

Acid Dissociation Constant (pKa)

20.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

Y040-7714 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 Y040-7714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7714?
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What is the minimum amount of Y040-7714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7714
  • 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 Y040-7714 available by request