P040-0614 Screening compound: 6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2-methylphenyl)methyl]-2,3-dihydropyridazin-3-one

P040-0614 Screening compound: 6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2-methylphenyl)methyl]-2,3-dihydropyridazin-3-one
P040-0614 Screening compound: 6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2-methylphenyl)methyl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-0614
6-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(2-methylphenyl)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

P040-0614

Molecular Formula

C15H14N4O2 (C15 H14 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C(C=C2)=NN(Cc3c(C)cccc3)C2=O)n1

InChI

InChI=1S/C15H14N4O2/c1-10-5-3-4-6-12(10)9-19-14(20)8-7-13(17-19)15-16-11(2)18-21-15/h3-8H,9H2,1-2H3

InChI Key

POUXVKNMHWYVDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.479

Distribution Coefficient, logD

2.479

Water Solubility, LogSw

-2.39

Polar Surface Area

60.109

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

P040-0614 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with P040-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0614?
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What is the minimum amount of P040-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0614
  • 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 P040-0614 available by request