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AA41612

CAT: 0931-T8998-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T8998-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
433690-62-1
Target
Others
Related Pathways
Others
Purity
0.9916
Bioactivity
AA41612 is a novel antagonist of melanopsin-mediated phototransduction.
Smiles
COC1=CC(Cl)=C(C=C1Cl)S(=O)(=O)N1CCCCC1
Molecular Formula
C12H15Cl2NO3S
Molecular Weight
324.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-((2,5-Dichloro-4-methoxyphenyl)sulfonyl)piperidine
CAS Number433690-62-1
PubChem CID4528045
IUPAC Name1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.2
XLogP3.1
Topological Polar Surface Area55
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity392
SMILES
COC1=CC(=C(C=C1Cl)S(=O)(=O)N2CCCCC2)Cl
InChI
InChI=1S/C12H15Cl2NO3S/c1-18-11-7-10(14)12(8-9(11)13)19(16,17)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3
InChIKey
FEMVYIQDVGQFBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-((2,5-Dichloro-4-methoxyphenyl)sulfonyl)piperidine
CAS: 433690-62-1
CID: 4528045
Formula: C12H15Cl2NO3S
MW: 324.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.2
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass323.0149699
Monoisotopic Mass323.0149699
Topological Polar Surface Area55 Ų
Heavy Atom Count19
Formal Charge0
Complexity392
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

Alternative Products

CatalogName
ISA69062-01AA41612
440644-01AA41612 discontinued
A22147-10AA41612 10mg
A22147-50AA41612 50mg
A22147-100AA41612 100mg
A22147-1AA41612 1mg
A22147-25AA41612 25mg
A22147-5AA41612 5mg
A22147-2AA41612 2mg
A22147-10mM-DAA41612 10mM * 1mL in DMSO

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