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CAD204520

CAT: 0013-GTR19239266-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239266-02Size:50 mg
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Description
CAD204520 is a SERCA inhibitor (IC50 = 0.34 μM) that selectively targets mutant NOTCH1 proteins linked to T-ALL and MCL. It serves as a valuable research tool for investigating NOTCH1-driven oncogenesis in both cellular and animal models of these hematological cancers.
CAS Number
2682205-20-3
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery, Protein Biochemistry, Stem Cell & Developmental Biology
Smiles
FC (F) (F) OC=1C=CC2=C (C1) NC (=C2CCC) C3N (CCN4CCOCC4) CCCC3
Molecular Formula
C23H32F3N3O2
Molecular Weight
439.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(1-(2-(morpholin-4-yl)ethyl)piperidin-2-yl)-3-propyl-6-(trifluoromethoxy)-1H-indole
CAS Number2682205-20-3
PubChem CID155293044
IUPAC Name4-[2-[2-[3-propyl-6-(trifluoromethoxy)-1H-indol-2-yl]piperidin-1-yl]ethyl]morpholine
Molecular FormulaC23H32F3N3O2
Molecular Weight439.5
XLogP5
Topological Polar Surface Area40.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity559
SMILES
CCCC1=C(NC2=C1C=CC(=C2)OC(F)(F)F)C3CCCCN3CCN4CCOCC4
InChI
InChI=1S/C23H32F3N3O2/c1-2-5-19-18-8-7-17(31-23(24,25)26)16-20(18)27-22(19)21-6-3-4-9-29(21)11-10-28-12-14-30-15-13-28/h7-8,16,21,27H,2-6,9-15H2,1H3
InChIKey
UNPIVXUWRQMOQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-(2-(morpholin-4-yl)ethyl)piperidin-2-yl)-3-propyl-6-(trifluoromethoxy)-1H-indole
CAS: 2682205-20-3
CID: 155293044
Formula: C23H32F3N3O2
MW: 439.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass439.24466176
Monoisotopic Mass439.24466176
Topological Polar Surface Area40.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T200097-01CAD204520
HY-164466A-01CAD204520 (dihydrochloride)

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