Y041-6839 Screening compound: 6-(4-chlorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]-2,3-dihydropyridazin-3-one

Y041-6839 Screening compound: 6-(4-chlorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]-2,3-dihydropyridazin-3-one
Y041-6839 Screening compound: 6-(4-chlorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6839
6-(4-chlorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]-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

Y041-6839

Molecular Formula

C20H19ClN2O4 (C20 H19 ClN2 O4)

Compound Name

6-(4-chlorophenyl)-4-[(2,4,5-trimethoxyphenyl)methyl]-2,3-dihydropyridazin-3-one

IUPAC name

6-(4-chlorophenyl)-4-[(245-trimethoxyphenyl)methyl]-23-dihydropyridazin-3-one

SMILES

COc(cc1OC)c(CC2=CC(c(cc3)ccc3Cl)=NNC2=O)cc1OC

InChI

InChI=1S/C20H19ClN2O4/c1-25-17-11-19(27-3)18(26-2)10-13(17)8-14-9-16(22-23-20(14)24)12-4-6-15(21)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,23,24)

InChI Key

YDBHVMLMWHUEIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22582974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.126

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.56

Polar Surface Area

60.052

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y041-6839 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-6839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6839?
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What is the minimum amount of Y041-6839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6839
  • 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 Y041-6839 available by request