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NIP-222

CAT: 0931-T69635-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69635-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
243147-25-3
Target
Others
Related Pathways
Others
Bioactivity
NIP-222 is a peroxisome proliferator-activated receptor (PPAR) gamma agonist.
Smiles
C(COC=1C=CC(CC2SC(=O)NC2=O)=NC1)(O)C=3N=C(OC3C)C4=CC=C(C)C=C4
Molecular Formula
C22H21N3O5S
Molecular Weight
439.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nip-222

peroxisome proliferator-activated receptor (PPAR)gamma agonist

CAS Number243147-25-3
PubChem CID10365915
IUPAC Name5-[[5-[2-hydroxy-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-2-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC22H21N3O5S
Molecular Weight439.5
XLogP2.7
Topological Polar Surface Area140
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity645
SMILES
CC1=CC=C(C=C1)C2=NC(=C(O2)C)C(COC3=CN=C(C=C3)CC4C(=O)NC(=O)S4)O
InChI
InChI=1S/C22H21N3O5S/c1-12-3-5-14(6-4-12)21-24-19(13(2)30-21)17(26)11-29-16-8-7-15(23-10-16)9-18-20(27)25-22(28)31-18/h3-8,10,17-18,26H,9,11H2,1-2H3,(H,25,27,28)
InChIKey
DIRLMEMGWIWYGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nip-222
CAS: 243147-25-3
CID: 10365915
Formula: C22H21N3O5S
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass439.12019195
Monoisotopic Mass439.12019195
Topological Polar Surface Area140 Ų
Heavy Atom Count31
Formal Charge0
Complexity645
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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