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SB 242084 50mg

CAT: 0628-A21715-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A21715-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
181632-25-7

Chemical Information

6-Chloro-5-methyl-N-(6-((2-methyl-3-pyridinyl)oxy)-3-pyridinyl)-2,3-dihydro-1H-indole-1-carboxamide dihydrochloride

6-chloro-5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-2,3-dihydroindole-1-carboxamide;dihydrochloride is a pyridine, an indole alkaloid and an organic molecular entity. It has a role as a receptor modulator.

CAS Number181632-25-7
PubChem CID16219981
IUPAC Name6-chloro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-2,3-dihydroindole-1-carboxamide;dihydrochloride
Molecular FormulaC21H21Cl3N4O2
Molecular Weight467.8
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity550
SMILES
CC1=CC2=C(C=C1Cl)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C.Cl.Cl
InChI
InChI=1S/C21H19ClN4O2.2ClH/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2;;/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27);2*1H
InChIKey
GCMNSEILNIPNSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-5-methyl-N-(6-((2-methyl-3-pyridinyl)oxy)-3-pyridinyl)-2,3-dihydro-1H-indole-1-carboxamide dihydrochloride
CAS: 181632-25-7
CID: 16219981
Formula: C21H21Cl3N4O2
MW: 467.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass466.073009
Monoisotopic Mass466.073009
Topological Polar Surface Area67.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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