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N6F11

CAT: 0931-T77745-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T77745-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
851398-76-0
Target
GPX
Related Pathways
Oxidation-Reduction
Purity
0.9976
Bioactivity
N6F11 is a novel, selective and potent inducer of ferroptosis with anticancer and antitumour activity that promotes GPX4 degradation by binding to TRIM25 in cancer cells.N6F11 can be used to study pancreatic cancer.
Smiles
ClCC1=NC2=C(SC(=C2)C2=CC=C(Cl)C=C2)C(=O)N1
Molecular Formula
C13H8Cl2N2OS
Molecular Weight
311.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(chloromethyl)-6-(4-chlorophenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CAS Number851398-76-0
PubChem CID135490253
IUPAC Name2-(chloromethyl)-6-(4-chlorophenyl)-3H-thieno[3,2-d]pyrimidin-4-one
Molecular FormulaC13H8Cl2N2OS
Molecular Weight311.2
XLogP3.6
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity396
SMILES
C1=CC(=CC=C1C2=CC3=C(S2)C(=O)NC(=N3)CCl)Cl
InChI
InChI=1S/C13H8Cl2N2OS/c14-6-11-16-9-5-10(19-12(9)13(18)17-11)7-1-3-8(15)4-2-7/h1-5H,6H2,(H,16,17,18)
InChIKey
KXALOVOFOCKYSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(chloromethyl)-6-(4-chlorophenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CAS: 851398-76-0
CID: 135490253
Formula: C13H8Cl2N2OS
MW: 311.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.2
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass309.9734394
Monoisotopic Mass309.9734394
Topological Polar Surface Area69.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity396
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

Alternative Products

CatalogName
BA3422-5N6F11

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