Y040-6627 Screening compound: 5,7-bis[(4-nitrobenzyl)oxy]-4-phenyl-2H-chromen-2-one

Y040-6627 Screening compound: 5,7-bis[(4-nitrobenzyl)oxy]-4-phenyl-2H-chromen-2-one
Y040-6627 Screening compound: 5,7-bis[(4-nitrobenzyl)oxy]-4-phenyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6627
5,7-bis[(4-nitrobenzyl)oxy]-4-phenyl-2H-chromen-2-one

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

Y040-6627

Molecular Formula

C29H20N2O8 (C29 H20 N2 O8)

Compound Name

5,7-bis[(4-nitrobenzyl)oxy]-4-phenyl-2H-chromen-2-one

IUPAC name

57-bis[(4-nitrophenyl)methoxy]-4-phenyl-2H-chromen-2-one

SMILES

[O-][N+](c1ccc(COc(cc2O3)cc(OCc(cc4)ccc4[N+]([O-])=O)c2C(c2ccccc2)=CC3=O)cc1)=O

InChI

InChI=1S/C29H20N2O8/c32-28-16-25(21-4-2-1-3-5-21)29-26(38-18-20-8-12-23(13-9-20)31(35)36)14-24(15-27(29)39-28)37-17-19-6-10-22(11-7-19)30(33)34/h1-16H,17-18H2

InChI Key

LLQDGVOCBOXPCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01846841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.49

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.765

Distribution Coefficient, logD

5.765

Water Solubility, LogSw

-5.94

Polar Surface Area

101.679

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

Y040-6627 in Drug Discovery

Included in Screening Libraries

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 Y040-6627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6627?
Check Price and Availability of Y040-6627, 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 Y040-6627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6627
  • 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 Y040-6627 available by request