Y041-2819 Screening compound: 4-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)butanoic acid

Y041-2819 Screening compound: 4-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)butanoic acid
Y041-2819 Screening compound: 4-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2819
4-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)butanoic 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

Y041-2819

Molecular Formula

C25H25NO8 (C25 H25 NO8)

Compound Name

4-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)butanoic acid

IUPAC name

4-(2-{[3-(34-dihydro-2H-15-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)butanoic acid

SMILES

CC(Oc1c2ccc(OCC(NCCCC(O)=O)=O)c1)=C(c(cc1)cc3c1OCCCO3)C2=O

InChI

InChI=1S/C25H25NO8/c1-15-24(16-5-8-19-21(12-16)32-11-3-10-31-19)25(30)18-7-6-17(13-20(18)34-15)33-14-22(27)26-9-2-4-23(28)29/h5-8,12-13H,2-4,9-11,14H2,1H3,(H,26,27)(H,28,29)

InChI Key

JVBYXBAFBADJRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01548091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.245

Distribution Coefficient, logD

-1.576

Water Solubility, LogSw

-2.37

Polar Surface Area

96.676

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

Y041-2819 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-2819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2819?
Check Price and Availability of Y041-2819, 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 Y041-2819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2819
  • 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 Y041-2819 available by request