Y040-3901 Screening compound: 3-{4,8-dimethyl-7-[(naphthalen-1-yl)methoxy]-2-oxo-2H-chromen-3-yl}propanoic acid

Y040-3901 Screening compound: 3-{4,8-dimethyl-7-[(naphthalen-1-yl)methoxy]-2-oxo-2H-chromen-3-yl}propanoic acid
Y040-3901 Screening compound: 3-{4,8-dimethyl-7-[(naphthalen-1-yl)methoxy]-2-oxo-2H-chromen-3-yl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3901
3-{4,8-dimethyl-7-[(naphthalen-1-yl)methoxy]-2-oxo-2H-chromen-3-yl}propanoic acid

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

Y040-3901

Molecular Formula

C25H22O5 (C25 H22 O5)

Compound Name

3-{4,8-dimethyl-7-[(naphthalen-1-yl)methoxy]-2-oxo-2H-chromen-3-yl}propanoic acid

IUPAC name

3-{48-dimethyl-7-[(naphthalen-1-yl)methoxy]-2-oxo-2H-chromen-3-yl}propanoic acid

SMILES

Cc(c(O1)c(cc2)C(C)=C(CCC(O)=O)C1=O)c2OCc1cccc2ccccc12

InChI

InChI=1S/C25H22O5/c1-15-19-10-12-22(16(2)24(19)30-25(28)20(15)11-13-23(26)27)29-14-18-8-5-7-17-6-3-4-9-21(17)18/h3-10,12H,11,13-14H2,1-2H3,(H,26,27)

InChI Key

WQSKWWYKQGVQLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03852164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.958

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-5.30

Polar Surface Area

56.271

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y040-3901 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-3901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3901?
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What is the minimum amount of Y040-3901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3901
  • 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 Y040-3901 available by request