P040-0497 Screening compound: 2-BENZYL-6-[3-(4-PYRIDYL)-1,2,4-OXADIAZOL-5-YL]-3(2H)-PYRIDAZINONE

P040-0497 Screening compound: 2-BENZYL-6-[3-(4-PYRIDYL)-1,2,4-OXADIAZOL-5-YL]-3(2H)-PYRIDAZINONE
P040-0497 Screening compound: 2-BENZYL-6-[3-(4-PYRIDYL)-1,2,4-OXADIAZOL-5-YL]-3(2H)-PYRIDAZINONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-0497
2-BENZYL-6-[3-(4-PYRIDYL)-1,2,4-OXADIAZOL-5-YL]-3(2H)-PYRIDAZINONE

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

P040-0497

Molecular Formula

C18H13N5O2 (C18 H13 N5 O2)

Compound Name

2-BENZYL-6-[3-(4-PYRIDYL)-1,2,4-OXADIAZOL-5-YL]-3(2H)-PYRIDAZINONE

IUPAC name

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

SMILES

O=C(C=C1)N(Cc2ccccc2)N=C1c1nc(-c2ccncc2)no1

InChI

InChI=1S/C18H13N5O2/c24-16-7-6-15(21-23(16)12-13-4-2-1-3-5-13)18-20-17(22-25-18)14-8-10-19-11-9-14/h1-11H,12H2

InChI Key

MERFVOTYZRSCSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-2.53

Polar Surface Area

69.653

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

P040-0497 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P040-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0497?
Check Price and Availability of P040-0497, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P040-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0497
  • 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 P040-0497 available by request