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TJ08

CAT: 1410-M36545-01Size: 1 EachDry Ice: NoHazardous: No
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Description
TJ08 is a 1,2,5-trisubstituted benzimidazole derivative with anticancer properties that effectively induces G1/S phase blockade while promoting apoptotic effects in a variety of cancer cells.
CAS Number
2924274-19-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
405.38
Molecular Formula
C22H16FN3O4
Notes
Research use only, not for human use.
Receptor
Apoptosis

Chemical Information

Methyl 1-benzyl-2-(4-fluoro-3-nitrophenyl)benzimidazole-5-carboxylate
CAS Number2924274-19-9
PubChem CID166642392
IUPAC Namemethyl 1-benzyl-2-(4-fluoro-3-nitrophenyl)benzimidazole-5-carboxylate
Molecular FormulaC22H16FN3O4
Molecular Weight405.4
XLogP4.5
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity624
SMILES
COC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC(=C(C=C3)F)[N+](=O)[O-])CC4=CC=CC=C4
InChI
InChI=1S/C22H16FN3O4/c1-30-22(27)16-8-10-19-18(11-16)24-21(25(19)13-14-5-3-2-4-6-14)15-7-9-17(23)20(12-15)26(28)29/h2-12H,13H2,1H3
InChIKey
JUSUUJMVLLBFGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 1-benzyl-2-(4-fluoro-3-nitrophenyl)benzimidazole-5-carboxylate
CAS: 2924274-19-9
CID: 166642392
Formula: C22H16FN3O4
MW: 405.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass405.11248416
Monoisotopic Mass405.11248416
Topological Polar Surface Area89.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity624
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
T73577-01TJ08

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