Products for Research Use Only

M1001

CAT: 1410-M21074-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M21074-04Size:25 mg
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Description
M1001 is a HIF-2α agonist.
CAS Number
874590-32-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
327.4
Molecular Formula
C17H17N3O2S
Notes
Research use only, not for human use.
Receptor
HIF-2α

Chemical Information

3-((2-(Pyrrolidin-1-yl)phenyl)amino)benzo[d]isothiazole 1,1-dioxide
CAS Number874590-32-6
PubChem CID4905675
IUPAC Name1,1-dioxo-N-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine
Molecular FormulaC17H17N3O2S
Molecular Weight327.4
XLogP2.7
Topological Polar Surface Area70.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity563
SMILES
C1CCN(C1)C2=CC=CC=C2NC3=NS(=O)(=O)C4=CC=CC=C43
InChI
InChI=1S/C17H17N3O2S/c21-23(22)16-10-4-1-7-13(16)17(19-23)18-14-8-2-3-9-15(14)20-11-5-6-12-20/h1-4,7-10H,5-6,11-12H2,(H,18,19)
InChIKey
LONXCUOJVJLTIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((2-(Pyrrolidin-1-yl)phenyl)amino)benzo[d]isothiazole 1,1-dioxide
CAS: 874590-32-6
CID: 4905675
Formula: C17H17N3O2S
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass327.10414797
Monoisotopic Mass327.10414797
Topological Polar Surface Area70.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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