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DY428174

CAT: 0013-GTR19208129-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208129-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DY428174 is a novel, potent, and selective small molecule inhibitor of the PI3Kα isoform. It is a valuable research tool for investigating PI3K signaling in oncology, supporting both in vitro cell-based assays and in vivo xenograft studies of cancer proliferation and survival.
CAS Number
1202041-71-1
Smiles
C (#N) C=1C (=C (SC1N2CCOCC2) C=3NC=NN3) C4=C (Cl) C=C (Cl) C=C4
Molecular Formula
C17H13Cl2N5OS
Molecular Weight
406.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(2,4-dichlorophenyl)-2-morpholin-4-yl-5-(2H-[1,2,4]triazol-3-yl)thiophene-3-carbonitrile
CAS Number1202041-71-1
PubChem CID67073110
IUPAC Name4-(2,4-dichlorophenyl)-2-morpholin-4-yl-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile
Molecular FormulaC17H13Cl2N5OS
Molecular Weight406.3
XLogP4
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity542
SMILES
C1COCCN1C2=C(C(=C(S2)C3=NC=NN3)C4=C(C=C(C=C4)Cl)Cl)C#N
InChI
InChI=1S/C17H13Cl2N5OS/c18-10-1-2-11(13(19)7-10)14-12(8-20)17(24-3-5-25-6-4-24)26-15(14)16-21-9-22-23-16/h1-2,7,9H,3-6H2,(H,21,22,23)
InChIKey
XPMQWMAEFFQIRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,4-dichlorophenyl)-2-morpholin-4-yl-5-(2H-[1,2,4]triazol-3-yl)thiophene-3-carbonitrile
CAS: 1202041-71-1
CID: 67073110
Formula: C17H13Cl2N5OS
MW: 406.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.3
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass405.0217866
Monoisotopic Mass405.0217866
Topological Polar Surface Area106 Ų
Heavy Atom Count26
Formal Charge0
Complexity542
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
T71253-01DY428174

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