Y041-3672 Screening compound: 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-6-(naphthalen-2-yl)-2,3-dihydropyridazin-3-one

Y041-3672 Screening compound: 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-6-(naphthalen-2-yl)-2,3-dihydropyridazin-3-one
Y041-3672 Screening compound: 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-6-(naphthalen-2-yl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3672
2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-6-(naphthalen-2-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

Y041-3672

Molecular Formula

C22H14Cl2N2O2 (C22 H14 Cl2 N2 O2)

Compound Name

2-[2-(2,4-dichlorophenyl)-2-oxoethyl]-6-(naphthalen-2-yl)-2,3-dihydropyridazin-3-one

IUPAC name

2-[2-(24-dichlorophenyl)-2-oxoethyl]-6-(naphthalen-2-yl)-23-dihydropyridazin-3-one

SMILES

O=C(CN(C(C=C1)=O)N=C1c1cc2ccccc2cc1)c(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C22H14Cl2N2O2/c23-17-7-8-18(19(24)12-17)21(27)13-26-22(28)10-9-20(25-26)16-6-5-14-3-1-2-4-15(14)11-16/h1-12H,13H2

InChI Key

VGSWHVRKQCXPIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20537001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.402

Distribution Coefficient, logD

5.402

Water Solubility, LogSw

-6.08

Polar Surface Area

41.523

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

Y041-3672 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-3672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3672?
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What is the minimum amount of Y041-3672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3672
  • 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 Y041-3672 available by request