Y040-4481 Screening compound: 7-[(2-chlorophenyl)methoxy]-7'-methoxy-2H,2'H-[3,4'-bichromene]-2,2'-dione

Y040-4481 Screening compound: 7-[(2-chlorophenyl)methoxy]-7'-methoxy-2H,2'H-[3,4'-bichromene]-2,2'-dione
Y040-4481 Screening compound: 7-[(2-chlorophenyl)methoxy]-7'-methoxy-2H,2'H-[3,4'-bichromene]-2,2'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4481
7-[(2-chlorophenyl)methoxy]-7'-methoxy-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

Y040-4481

Molecular Formula

C26H17ClO6 (C26 H17 ClO6)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(O2)c1C(C1=Cc(ccc(OCc(cccc3)c3Cl)c3)c3OC1=O)=CC2=O

InChI

InChI=1S/C26H17ClO6/c1-30-17-8-9-19-20(13-25(28)32-24(19)11-17)21-10-15-6-7-18(12-23(15)33-26(21)29)31-14-16-4-2-3-5-22(16)27/h2-13H,14H2,1H3

InChI Key

CEEGPYNJKUFUIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06610696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.885

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-4.94

Polar Surface Area

56.067

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

Y040-4481 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with Y040-4481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4481?
Check Price and Availability of Y040-4481, 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 Y040-4481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4481
  • 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 Y040-4481 available by request