Y040-4464 Screening compound: propyl 2-({8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl}oxy)acetate

Y040-4464 Screening compound: propyl 2-({8-methoxy-8'-methyl-2,2'-dioxo-2H,2'H-[3,4'-bichromen]-7'-yl}oxy)acetate
Y040-4464 Screening compound: propyl 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 Y040-4464
propyl 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

Y040-4464

Molecular Formula

C25H22O8 (C25 H22 O8)

Compound Name

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

IUPAC name

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

SMILES

CCCOC(COc(cc1)c(C)c(O2)c1C(C1=Cc3cccc(OC)c3OC1=O)=CC2=O)=O

InChI

InChI=1S/C25H22O8/c1-4-10-30-22(27)13-31-19-9-8-16-17(12-21(26)32-23(16)14(19)2)18-11-15-6-5-7-20(29-3)24(15)33-25(18)28/h5-9,11-12H,4,10,13H2,1-3H3

InChI Key

BFSYDPDGNBPUKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06494957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.44

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

3.563

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.70

Polar Surface Area

76.333

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

Y040-4464 in Drug Discovery

Included in Screening Libraries

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-4464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4464?
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What is the minimum amount of Y040-4464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4464
  • 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 Y040-4464 available by request