Y041-0563 Screening compound: 6-{2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

Y041-0563 Screening compound: 6-{2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
Y041-0563 Screening compound: 6-{2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0563
6-{2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

Y041-0563

Molecular Formula

C22H19NO6 (C22 H19 NO6)

Compound Name

6-{2-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-{2-[(34-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-4-methyl-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CC(c(ccc(OCC(c(cc1)cc(N2C)c1OCC2=O)=O)c1)c1O1)=C(C)C1=O

InChI

InChI=1S/C22H19NO6/c1-12-13(2)22(26)29-20-9-15(5-6-16(12)20)27-10-18(24)14-4-7-19-17(8-14)23(3)21(25)11-28-19/h4-9H,10-11H2,1-3H3

InChI Key

OGTROYJIQCESSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18798980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.449

Distribution Coefficient, logD

2.449

Water Solubility, LogSw

-3.10

Polar Surface Area

65.502

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

-4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

Y041-0563 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0563?
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What is the minimum amount of Y041-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0563
  • 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 Y041-0563 available by request