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M-Se3

CAT: 0931-T79872-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T79872-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2829939-44-6
Target
C-Myc
Related Pathways
Cell Cycle/Checkpoint
Bioactivity
M-Se3 is a potent, selective inhibitor of c-MYC transcription with demonstrated capability to inhibit tumor growth and exhibit anti-cancer activity [1].
Smiles
C(N1C=2C(C=3C1=CC=CC3)=CC(/C=C/C4=[N+](C)C=5C([Se]4)=CC=CC5)=CC2)C6=CC=CC=C6.[I-]
Molecular Formula
C29H23IN2Se
Molecular Weight
605.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(E)-2-(9-benzylcarbazol-3-yl)ethenyl]-3-methyl-1,3-benzoselenazol-3-ium iodide
CAS Number2829939-44-6
PubChem CID168510628
IUPAC Name2-[(E)-2-(9-benzylcarbazol-3-yl)ethenyl]-3-methyl-1,3-benzoselenazol-3-ium iodide
Molecular FormulaC29H23IN2Se
Molecular Weight605.4
Topological Polar Surface Area8.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity658
SMILES
C[N+]1=C([Se]C2=CC=CC=C21)/C=C/C3=CC4=C(C=C3)N(C5=CC=CC=C54)CC6=CC=CC=C6.[I-]
InChI
InChI=1S/C29H23N2Se.HI/c1-30-27-13-7-8-14-28(27)32-29(30)18-16-21-15-17-26-24(19-21)23-11-5-6-12-25(23)31(26)20-22-9-3-2-4-10-22;/h2-19H,20H2,1H3;1H/q+1;/p-1
InChIKey
ZCRNLZLTEBHQQD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 2-[(E)-2-(9-benzylcarbazol-3-yl)ethenyl]-3-methyl-1,3-benzoselenazol-3-ium iodide
CAS: 2829939-44-6
CID: 168510628
Formula: C29H23IN2Se
MW: 605.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass606.00712
Monoisotopic Mass606.00712
Topological Polar Surface Area8.8 Ų
Heavy Atom Count33
Formal Charge0
Complexity658
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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