P040-0876 Screening compound: 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]-2,3-dihydropyridazin-3-one

P040-0876 Screening compound: 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]-2,3-dihydropyridazin-3-one
P040-0876 Screening compound: 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-0876
6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)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

P040-0876

Molecular Formula

C17H17FN4O2 (C17 H17 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1noc(C(C=C2)=NN(Cc3cccc(F)c3)C2=O)n1

InChI

InChI=1S/C17H17FN4O2/c1-17(2,3)16-19-15(24-21-16)13-7-8-14(23)22(20-13)10-11-5-4-6-12(18)9-11/h4-9H,10H2,1-3H3

InChI Key

VCDHUSGONSFLRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.35

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

3.519

Distribution Coefficient, logD

3.519

Water Solubility, LogSw

-3.63

Polar Surface Area

60.496

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

P040-0876 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

SmartTM Library (51161 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 P040-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0876?
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What is the minimum amount of P040-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0876
  • 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 P040-0876 available by request