M455-0333 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2,3-dihydropyridazin-3-one
Chemical Structure Depiction of ChemDiv screening compound M455-0333
6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(3-chlorophenyl)-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
M455-0333
Molecular Formula
C21H15ClN4O4 (C21 H15 ClN4 O4)
Compound Name
6-(2H-1,3-benzodioxol-5-yl)-2-{2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2,3-dihydropyridazin-3-one
IUPAC name
6-(2H-13-benzodioxol-5-yl)-2-{2-[3-(3-chlorophenyl)-124-oxadiazol-5-yl]ethyl}-23-dihydropyridazin-3-one
SMILES
O=C(C=C1)N(CCc2nc(-c3cccc(Cl)c3)no2)N=C1c(cc1)cc2c1OCO2
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
422.83
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.677
Distribution Coefficient, logD
4.677
Water Solubility, LogSw
-5.00
Polar Surface Area
76.984
Acid Dissociation Constant (pKa)
24.70
Base Dissociation Constant (pKb)
2.04
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.30
M455-0333 in Drug Discovery
Included in Screening Libraries
C-Met Library (15277 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
SmartTM Library (51161 compounds)
Targeted Diversity Library (40567 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
- Kinases
- Receptor's ligands
References: we are preparing a list of scientific research reports with M455-0333 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)