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Isomazole

CAT: 0013-GTR19197456-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197456-02Size:5 mg
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Description
Isomazole
CAS Number
86315-52-8
Product Name Alternative
PDE3, PDE4, Isomazole
Field of Research
Metabolism Research
Purity
98.33% (May vary between batches)
Solubility
DMSO:60 mg/mL (208.81 mM)
Smiles
O (C) C1=C (C=CC (S (C) =O) =C1) C=2NC=3C (N2) =CN=CC3
Molecular Formula
C14H13N3O2S
Molecular Weight
287.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isomazole

2-(2-methoxy-4-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine is a member of imidazoles.

CAS Number86315-52-8
PubChem CID55690
IUPAC Name2-(2-methoxy-4-methylsulfinylphenyl)-3H-imidazo[4,5-c]pyridine
Molecular FormulaC14H13N3O2S
Molecular Weight287.34
XLogP1.3
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity368
SMILES
COC1=C(C=CC(=C1)S(=O)C)C2=NC3=C(N2)C=NC=C3
InChI
InChI=1S/C14H13N3O2S/c1-19-13-7-9(20(2)18)3-4-10(13)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)
InChIKey
JQUKCPUPFALELS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isomazole
CAS: 86315-52-8
CID: 55690
Formula: C14H13N3O2S
MW: 287.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.34
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass287.07284784
Monoisotopic Mass287.07284784
Topological Polar Surface Area87.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity368
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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Alternative Products

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MBS5777341Isomazole
HY-19003AIsomazole (hydrochloride)
T32218-01Isomazole hydrochloride

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