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VGD071

CAT: 0931-T64206-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T64206-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2826992-31-6
Target
Others, Neurotensin Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
VGD071, a compound that targets sortilin, presents a promising avenue for forthcoming research utilizing mouse models of breast cancer.
Smiles
S(=O)(=O)(C1=CC=C(C)C=C1)N2CC(=C)CN(S(=O)(=O)C3=CC=C(C)C=C3)CCCN(CCC4=CC=CC=C4)CCC2
Molecular Formula
C32H41N3O4S2
Molecular Weight
595.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Methylidene-1,5-bis-(4-methylphenyl)sulfonyl-9-(2-phenylethyl)-1,5,9-triazacyclododecane
CAS Number2826992-31-6
PubChem CID163321271
IUPAC Name3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-9-(2-phenylethyl)-1,5,9-triazacyclododecane
Molecular FormulaC32H41N3O4S2
Molecular Weight595.8
XLogP5.2
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity944
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)CCC4=CC=CC=C4
InChI
InChI=1S/C32H41N3O4S2/c1-27-11-15-31(16-12-27)40(36,37)34-22-7-20-33(24-19-30-9-5-4-6-10-30)21-8-23-35(26-29(3)25-34)41(38,39)32-17-13-28(2)14-18-32/h4-6,9-18H,3,7-8,19-26H2,1-2H3
InChIKey
WLNGLSFIPLGHIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylidene-1,5-bis-(4-methylphenyl)sulfonyl-9-(2-phenylethyl)-1,5,9-triazacyclododecane
CAS: 2826992-31-6
CID: 163321271
Formula: C32H41N3O4S2
MW: 595.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight595.8
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass595.25384914
Monoisotopic Mass595.25384914
Topological Polar Surface Area94.8 Ų
Heavy Atom Count41
Formal Charge0
Complexity944
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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CatalogName
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CatalogName
HY-139668VGD071

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