M115-0791 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]-1,4-dihydropyridazin-4-one

M115-0791 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]-1,4-dihydropyridazin-4-one
M115-0791 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]-1,4-dihydropyridazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M115-0791
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]-1,4-dihydropyridazin-4-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

M115-0791

Molecular Formula

C20H14N4O4S (C20 H14 N4 O4 S)

Compound Name

3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]-1,4-dihydropyridazin-4-one

IUPAC name

3-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-1-[3-(methylsulfanyl)phenyl]-14-dihydropyridazin-4-one

SMILES

CSc1cc(N(C=C2)N=C(c3nc(-c(cc4)cc5c4OCO5)no3)C2=O)ccc1

InChI

InChI=1S/C20H14N4O4S/c1-29-14-4-2-3-13(10-14)24-8-7-15(25)18(22-24)20-21-19(23-28-20)12-5-6-16-17(9-12)27-11-26-16/h2-10H,11H2,1H3

InChI Key

SBYRYTSUVVBONZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

4.124

Water Solubility, LogSw

-4.38

Polar Surface Area

75.170

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

M115-0791 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with M115-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M115-0791?
Check Price and Availability of M115-0791, 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 M115-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M115-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M115-0791
  • 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 M115-0791 available by request