P039-1817 Screening compound: N-(2,5-dimethylphenyl)-2-{6-oxo-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1,4,5,6-tetrahydropyridazin-1-yl}acetamide

P039-1817 Screening compound: N-(2,5-dimethylphenyl)-2-{6-oxo-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1,4,5,6-tetrahydropyridazin-1-yl}acetamide
P039-1817 Screening compound: N-(2,5-dimethylphenyl)-2-{6-oxo-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1,4,5,6-tetrahydropyridazin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P039-1817
N-(2,5-dimethylphenyl)-2-{6-oxo-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1,4,5,6-tetrahydropyridazin-1-yl}acetamide

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

P039-1817

Molecular Formula

C21H20N6O3 (C21 H20 N6 O3)

Compound Name

N-(2,5-dimethylphenyl)-2-{6-oxo-3-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]-1,4,5,6-tetrahydropyridazin-1-yl}acetamide

IUPAC name

N-(25-dimethylphenyl)-2-{6-oxo-3-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]-1456-tetrahydropyridazin-1-yl}acetamide

SMILES

Cc1cc(NC(CN(C(CC2)=O)N=C2c2nc(-c3ccncc3)no2)=O)c(C)cc1

InChI

InChI=1S/C21H20N6O3/c1-13-3-4-14(2)17(11-13)23-18(28)12-27-19(29)6-5-16(25-27)21-24-20(26-30-21)15-7-9-22-10-8-15/h3-4,7-11H,5-6,12H2,1-2H3,(H,23,28)

InChI Key

KNWXSJQIWKVWLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.866

Distribution Coefficient, logD

1.866

Water Solubility, LogSw

-2.11

Polar Surface Area

92.105

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

P039-1817 in Drug Discovery

Included in Screening Libraries

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 P039-1817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P039-1817?
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What is the minimum amount of P039-1817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P039-1817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P039-1817
  • 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 P039-1817 available by request