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ST362

CAT: 0931-T28864-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28864-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1323359-80-3
Target
Others, Apoptosis
Related Pathways
Apoptosis, Others
Bioactivity
ST362, an anticancer agent, acts by disrupting DNA repair and halting growth in prostate, colon, lung and breast cancer cells.
Smiles
CC/1C=2C=3C(N(C)C2C(=O)\C1=C\OC4C=C(C)C(=O)O4)=CC=C(C3)C5=C6C(=CS5)OCCO6
Molecular Formula
C25H21NO6S
Molecular Weight
463.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2E)-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,4-dimethyl-2-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-1H-cyclopenta[b]indol-3-one
CAS Number1323359-80-3
PubChem CID54763247
IUPAC Name(2E)-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,4-dimethyl-2-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-1H-cyclopenta[b]indol-3-one
Molecular FormulaC25H21NO6S
Molecular Weight463.5
XLogP4.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity903
SMILES
CC1/C(=C\OC2C=C(C(=O)O2)C)/C(=O)C3=C1C4=C(N3C)C=CC(=C4)C5=C6C(=CS5)OCCO6
InChI
InChI=1S/C25H21NO6S/c1-12-8-19(32-25(12)28)31-10-16-13(2)20-15-9-14(4-5-17(15)26(3)21(20)22(16)27)24-23-18(11-33-24)29-6-7-30-23/h4-5,8-11,13,19H,6-7H2,1-3H3/b16-10+
InChIKey
GJUAGRMNTHWYBB-MHWRWJLKSA-N
Chemical Structure
2D Structure
2D structure of (2E)-7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-1,4-dimethyl-2-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-1H-cyclopenta[b]indol-3-one
CAS: 1323359-80-3
CID: 54763247
Formula: C25H21NO6S
MW: 463.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.5
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass463.10895856
Monoisotopic Mass463.10895856
Topological Polar Surface Area104 Ų
Heavy Atom Count33
Formal Charge0
Complexity903
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-116543ST362

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