Y040-9463 Screening compound: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dihydropyridazin-3-one

Y040-9463 Screening compound: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dihydropyridazin-3-one
Y040-9463 Screening compound: 6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9463
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dihydropyridazin-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

Y040-9463

Molecular Formula

C13H12N2O3 (C13 H12 N2 O3)

Compound Name

6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,3-dihydropyridazin-3-one

IUPAC name

6-(34-dihydro-2H-15-benzodioxepin-7-yl)-23-dihydropyridazin-3-one

SMILES

O=C(C=C1)NN=C1c(cc1)cc2c1OCCCO2

InChI

InChI=1S/C13H12N2O3/c16-13-5-3-10(14-15-13)9-2-4-11-12(8-9)18-7-1-6-17-11/h2-5,8H,1,6-7H2,(H,15,16)

InChI Key

RVMURJQGOYVPNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12078674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.554

Distribution Coefficient, logD

1.554

Water Solubility, LogSw

-2.00

Polar Surface Area

53.530

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

Y040-9463 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Cardiovascular Library (22201 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-9463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9463?
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What is the minimum amount of Y040-9463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9463
  • 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 Y040-9463 available by request