Y040-4596 Screening compound: benzyl 2-({8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl}oxy)acetate

Y040-4596 Screening compound: benzyl 2-({8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl}oxy)acetate
Y040-4596 Screening compound: benzyl 2-({8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4596
benzyl 2-({8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl}oxy)acetate

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

Y040-4596

Molecular Formula

C29H22O8 (C29 H22 O8)

Compound Name

benzyl 2-({8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl}oxy)acetate

IUPAC name

benzyl 2-({8-methoxy-8'-methyl-22'-dioxo-2H2'H-[34'-bichromen]-7'-yl}oxy)acetate

SMILES

Cc(c(O1)c(cc2)C(C3=Cc4cccc(OC)c4OC3=O)=CC1=O)c2OCC(OCc1ccccc1)=O

InChI

InChI=1S/C29H22O8/c1-17-23(34-16-26(31)35-15-18-7-4-3-5-8-18)12-11-20-21(14-25(30)36-27(17)20)22-13-19-9-6-10-24(33-2)28(19)37-29(22)32/h3-14H,15-16H2,1-2H3

InChI Key

JKHPYMKBRZLSPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06494096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.433

Distribution Coefficient, logD

4.433

Water Solubility, LogSw

-4.89

Polar Surface Area

76.143

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

Y040-4596 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y040-4596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4596?
Check Price and Availability of Y040-4596, 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 Y040-4596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4596
  • 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 Y040-4596 available by request