P040-0457 Screening compound: 2-[(3-fluorophenyl)methyl]-6-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydropyridazin-3-one

P040-0457 Screening compound: 2-[(3-fluorophenyl)methyl]-6-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydropyridazin-3-one
P040-0457 Screening compound: 2-[(3-fluorophenyl)methyl]-6-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-0457
2-[(3-fluorophenyl)methyl]-6-[3-(pyridin-3-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

P040-0457

Molecular Formula

C18H12FN5O2 (C18 H12 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C=C1)N(Cc2cccc(F)c2)N=C1c1nc(-c2cnccc2)no1

InChI

InChI=1S/C18H12FN5O2/c19-14-5-1-3-12(9-14)11-24-16(25)7-6-15(22-24)18-21-17(23-26-18)13-4-2-8-20-10-13/h1-10H,11H2

InChI Key

TYFDLMRXFLYCOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.32

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

2.494

Distribution Coefficient, logD

2.410

Water Solubility, LogSw

-2.31

Polar Surface Area

69.743

Acid Dissociation Constant (pKa)

22.10

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

P040-0457 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 P040-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0457?
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What is the minimum amount of P040-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0457
  • 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 P040-0457 available by request