Y040-4457 Screening compound: 7'-[2-(4-chlorophenyl)-2-oxoethoxy]-2H,2'H-[3,4'-bichromene]-2,2'-dione

Y040-4457 Screening compound: 7'-[2-(4-chlorophenyl)-2-oxoethoxy]-2H,2'H-[3,4'-bichromene]-2,2'-dione
Y040-4457 Screening compound: 7'-[2-(4-chlorophenyl)-2-oxoethoxy]-2H,2'H-[3,4'-bichromene]-2,2'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4457
7'-[2-(4-chlorophenyl)-2-oxoethoxy]-2H,2'H-[3,4'-bichromene]-2,2'-dione

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

Y040-4457

Molecular Formula

C26H15ClO6 (C26 H15 ClO6)

Compound Name

7'-[2-(4-chlorophenyl)-2-oxoethoxy]-2H,2'H-[3,4'-bichromene]-2,2'-dione

IUPAC name

7'-[2-(4-chlorophenyl)-2-oxoethoxy]-2H2'H-[34'-bichromene]-22'-dione

SMILES

O=C(COc(cc1)cc(O2)c1C(C1=Cc(cccc3)c3OC1=O)=CC2=O)c(cc1)ccc1Cl

InChI

InChI=1S/C26H15ClO6/c27-17-7-5-15(6-8-17)22(28)14-31-18-9-10-19-20(13-25(29)32-24(19)12-18)21-11-16-3-1-2-4-23(16)33-26(21)30/h1-13H,14H2

InChI Key

IFDHENSIJMMRTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06494798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.85

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.314

Distribution Coefficient, logD

4.314

Water Solubility, LogSw

-4.78

Polar Surface Area

61.770

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

Y040-4457 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y040-4457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4457?
Check Price and Availability of Y040-4457, 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 Y040-4457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4457
  • 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 Y040-4457 available by request