Y040-4595 Screening compound: 7-(3,3-dimethyl-2-oxobutoxy)-7'-methoxy-2H,2'H-[3,4'-bichromene]-2,2'-dione

Y040-4595 Screening compound: 7-(3,3-dimethyl-2-oxobutoxy)-7'-methoxy-2H,2'H-[3,4'-bichromene]-2,2'-dione
Y040-4595 Screening compound: 7-(3,3-dimethyl-2-oxobutoxy)-7'-methoxy-2H,2'H-[3,4'-bichromene]-2,2'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4595
7-(3,3-dimethyl-2-oxobutoxy)-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

Y040-4595

Molecular Formula

C25H22O7 (C25 H22 O7)

Compound Name

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

IUPAC name

7-(33-dimethyl-2-oxobutoxy)-7'-methoxy-2H2'H-[34'-bichromene]-22'-dione

SMILES

CC(C)(C)C(COc(cc1)cc(O2)c1C=C(C(c(ccc(OC)c1)c1O1)=CC1=O)C2=O)=O

InChI

InChI=1S/C25H22O7/c1-25(2,3)22(26)13-30-16-6-5-14-9-19(24(28)32-20(14)11-16)18-12-23(27)31-21-10-15(29-4)7-8-17(18)21/h5-12H,13H2,1-4H3

InChI Key

ACBWVAZROVHGOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06765667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.916

Distribution Coefficient, logD

3.916

Water Solubility, LogSw

-4.32

Polar Surface Area

69.586

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

Y040-4595 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-4595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4595?
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What is the minimum amount of Y040-4595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4595
  • 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 Y040-4595 available by request