M455-0344 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-2,3-dihydropyridazin-3-one

M455-0344 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-2,3-dihydropyridazin-3-one
M455-0344 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M455-0344
6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-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

M455-0344

Molecular Formula

C22H15F3N4O5 (C22 H15 F3 N4 O5)

Compound Name

6-(2H-1,3-benzodioxol-5-yl)-2-(2-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}ethyl)-2,3-dihydropyridazin-3-one

IUPAC name

6-(2H-13-benzodioxol-5-yl)-2-(2-{3-[4-(trifluoromethoxy)phenyl]-124-oxadiazol-5-yl}ethyl)-23-dihydropyridazin-3-one

SMILES

O=C(C=C1)N(CCc2nc(-c(cc3)ccc3OC(F)(F)F)no2)N=C1c(cc1)cc2c1OCO2

InChI

InChI=1S/C22H15F3N4O5/c23-22(24,25)33-15-4-1-13(2-5-15)21-26-19(34-28-21)9-10-29-20(30)8-6-16(27-29)14-3-7-17-18(11-14)32-12-31-17/h1-8,11H,9-10,12H2

InChI Key

NKBCQDRVGAGKCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.207

Distribution Coefficient, logD

5.207

Water Solubility, LogSw

-5.53

Polar Surface Area

82.921

Acid Dissociation Constant (pKa)

24.70

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

M455-0344 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M455-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M455-0344?
Check Price and Availability of M455-0344, 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 M455-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M455-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M455-0344
  • 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 M455-0344 available by request