P040-0486 Screening compound: 2-(2-phenylethyl)-6-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydropyridazin-3-one

P040-0486 Screening compound: 2-(2-phenylethyl)-6-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydropyridazin-3-one
P040-0486 Screening compound: 2-(2-phenylethyl)-6-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-0486
2-(2-phenylethyl)-6-[3-(pyridin-4-yl)-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

P040-0486

Molecular Formula

C19H15N5O2 (C19 H15 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C=C1)N(CCc2ccccc2)N=C1c1nc(-c2ccncc2)no1

InChI

InChI=1S/C19H15N5O2/c25-17-7-6-16(22-24(17)13-10-14-4-2-1-3-5-14)19-21-18(23-26-19)15-8-11-20-12-9-15/h1-9,11-12H,10,13H2

InChI Key

FMYUONYBYXSVRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.809

Distribution Coefficient, logD

2.809

Water Solubility, LogSw

-2.86

Polar Surface Area

69.631

Acid Dissociation Constant (pKa)

23.15

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

P040-0486 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P040-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0486?
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What is the minimum amount of P040-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0486
  • 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 P040-0486 available by request