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MS.001

CAT: 0013-GTR19236640Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236640Size:5 mg
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Description
MS.001 is a small molecule that inhibits both the chaperone binding and ubiquitin ligase activity of C-terminus of Hsc70 interacting protein (CHIP) at low micromolar concentrations (IC50=3.3 uM) .
CAS Number
53619-67-3
Purity
>98%
Notes
For research use only.

Chemical Information

4-(4-Methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole
CAS Number53619-67-3
PubChem CID313614
IUPAC Name4-(4-methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole
Molecular FormulaC13H9N3O4S
Molecular Weight303.30
XLogP2.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity422
SMILES
CC1=CC=C(C=C1)S(=O)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O4S/c1-8-2-4-9(5-3-8)21(19)11-7-6-10(16(17)18)12-13(11)15-20-14-12/h2-7H,1H3
InChIKey
FRBRHPUZSWIODD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole
CAS: 53619-67-3
CID: 313614
Formula: C13H9N3O4S
MW: 303.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.30
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass303.03137695
Monoisotopic Mass303.03137695
Topological Polar Surface Area121 Ų
Heavy Atom Count21
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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