P040-0404 Screening compound: 3-({3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}methyl)benzonitrile

P040-0404 Screening compound: 3-({3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}methyl)benzonitrile
P040-0404 Screening compound: 3-({3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-0404
3-({3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}methyl)benzonitrile

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

P040-0404

Molecular Formula

C20H12ClN5O2 (C20 H12 ClN5 O2)

Compound Name

3-({3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}methyl)benzonitrile

IUPAC name

3-({3-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]-6-oxo-16-dihydropyridazin-1-yl}methyl)benzonitrile

SMILES

N#Cc1cccc(CN(C(C=C2)=O)N=C2c2nc(-c(cc3)ccc3Cl)no2)c1

InChI

InChI=1S/C20H12ClN5O2/c21-16-6-4-15(5-7-16)19-23-20(28-25-19)17-8-9-18(27)26(24-17)12-14-3-1-2-13(10-14)11-22/h1-10H,12H2

InChI Key

ATNGOOUMDZQZTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.8

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

4.022

Distribution Coefficient, logD

4.022

Water Solubility, LogSw

-4.60

Polar Surface Area

77.281

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

P040-0404 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 P040-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0404?
Check Price and Availability of P040-0404, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P040-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0404
  • 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 P040-0404 available by request