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SC-75416

CAT: 0013-GTR19196635-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196635-02Size:5 mg
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Description
SC-75416 is a potent and selective cyclooxygenase-2 (COX-2) inhibitor used in scientific research. It is a valuable tool compound for investigating pain mechanisms and inflammatory pathways in both in vitro biochemical assays and in vivo animal models of nociception.
CAS Number
215122-74-0
Product Name Alternative
SC 75416, SC75416, SC-75416, COX-2
Field of Research
Immunology & Inflammation, Neuroscience
Purity
98.67% (May vary between batches)
Smiles
[C@@] (F) (F) (F) [C@H]1OC=2C (C=C1C (O) =O) =CC (Cl) =C (C (C) (C) C) C2
Molecular Formula
C15H14ClF3O3
Molecular Weight
334.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SC-75416

Tigemocoxib is a small molecule drug. The usage of the INN stem '-coxib' in the name indicates that Tigemocoxib is a selective cyclo-oxygenase inhibitor. Tigemocoxib has a monoisotopic molecular weight of 334.06 Da.

CAS Number215122-74-0
PubChem CID9858913
IUPAC Name(2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid
Molecular FormulaC15H14ClF3O3
Molecular Weight334.72
XLogP4.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity481
SMILES
CC(C)(C)C1=C(C=C2C=C([C@H](OC2=C1)C(F)(F)F)C(=O)O)Cl
InChI
InChI=1S/C15H14ClF3O3/c1-14(2,3)9-6-11-7(5-10(9)16)4-8(13(20)21)12(22-11)15(17,18)19/h4-6,12H,1-3H3,(H,20,21)/t12-/m0/s1
InChIKey
QGCKNIAMHUUUDI-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of SC-75416
CAS: 215122-74-0
CID: 9858913
Formula: C15H14ClF3O3
MW: 334.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.72
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass334.0583565
Monoisotopic Mass334.0583565
Topological Polar Surface Area46.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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