P040-0082 Screening compound: 2-benzyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydropyridazin-3-one

P040-0082 Screening compound: 2-benzyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydropyridazin-3-one
P040-0082 Screening compound: 2-benzyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-0082
2-benzyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-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

P040-0082

Molecular Formula

C20H16N4O2 (C20 H16 N4 O2)

Compound Name

2-benzyl-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydropyridazin-3-one

IUPAC name

2-benzyl-6-[3-(4-methylphenyl)-124-oxadiazol-5-yl]-23-dihydropyridazin-3-one

SMILES

Cc(cc1)ccc1-c1noc(C(C=C2)=NN(Cc3ccccc3)C2=O)n1

InChI

InChI=1S/C20H16N4O2/c1-14-7-9-16(10-8-14)19-21-20(26-23-19)17-11-12-18(25)24(22-17)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3

InChI Key

ZUNLZJBAOZSZHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.276

Distribution Coefficient, logD

4.276

Water Solubility, LogSw

-4.40

Polar Surface Area

60.225

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

P040-0082 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P040-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0082?
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What is the minimum amount of P040-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0082
  • 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 P040-0082 available by request