Products for Research Use Only
RegisterLogin

Anti-inflammatory agent 82

CAT: 0804-HY-111473-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-111473-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Anti-inflammatory agent 82 has potential analgesic and anti-inflammatory effects[1].
CAS Number
178408-16-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/anti-inflammatory-agent-82.html
Smiles
O=C1N(C)CCN/C1=C/C(C2=CC=C(C)C=C2)=O
Molecular Formula
C14H16N2O2
Molecular Weight
244.29
Precautions
P261-P280-P302+P352
References & Citations
[1]Milyutin, et al. Preparation and biological activity of 3-aroylmethylene-1-methyl (phenyl) piperazin-2-ones. Khimiko-Farmatsevticheskii Zhurnal (1996), 30 (3), 42-44.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Piperazinone, 1-methyl-3-(2-(4-methylphenyl)-2-oxoethylidene)-
CAS Number178408-16-7
PubChem CID6449086
IUPAC Name(3Z)-1-methyl-3-[2-(4-methylphenyl)-2-oxoethylidene]piperazin-2-one
Molecular FormulaC14H16N2O2
Molecular Weight244.29
XLogP1.6
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity368
SMILES
CC1=CC=C(C=C1)C(=O)/C=C\2/C(=O)N(CCN2)C
InChI
InChI=1S/C14H16N2O2/c1-10-3-5-11(6-4-10)13(17)9-12-14(18)16(2)8-7-15-12/h3-6,9,15H,7-8H2,1-2H3/b12-9-
InChIKey
KSTKBIKZMQMAMQ-XFXZXTDPSA-N
Chemical Structure
2D Structure
2D structure of Piperazinone, 1-methyl-3-(2-(4-methylphenyl)-2-oxoethylidene)-
CAS: 178408-16-7
CID: 6449086
Formula: C14H16N2O2
MW: 244.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.29
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass244.121177757
Monoisotopic Mass244.121177757
Topological Polar Surface Area49.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-162170Anti-inflammatory agent 72
HY-155997Anti-inflammatory agent 56
HY-145870Anti-inflammatory agent 13
HY-146435Anti-inflammatory agent 22
HY-156436Anti-inflammatory agent 62
HY-155753Anti-inflammatory agent 50
HY-155557Anti-inflammatory agent 45
HY-146547Anti-inflammatory agent 17
HY-143410Anti-inflammatory agent 16
HY-149816Anti-inflammatory agent 41

Alternative Products

CatalogName
T212447-01Anti-inflammatory agent 105
T209653-01Anti-inflammatory agent 78
T207573-01Anti-inflammatory agent 101
T60560-01Anti-inflammatory agent 15
T61302-01Anti-inflammatory agent 17
T83057-01Anti-inflammatory agent 49
T83049-01Anti-inflammatory agent 63
T83047-01Anti-inflammatory agent 65
TN9135-01Anti-inflammatory agent 98
T88958-01Anti-inflammatory agent 90

Popular Products