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TMCB

CAT: 0931-T23461-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23461-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
905105-89-7
Target
Casein Kinase, Others
Related Pathways
Metabolism, Others, Stem Cells
Bioactivity
CK2 and ERK8 inhibitor
Smiles
N(C(=O)C=1NCCN1)C2=C(Br)C(Br)=C(OC)C(Br)=C2Br
Molecular Formula
C11H9Br4N3O2
Molecular Weight
534.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[4,5,6,7-Tetrabromo-2-(Dimethylamino)-1h-Benzimidazol-1-Yl]acetic Acid
CAS Number905105-89-7
PubChem CID46943415
IUPAC Name2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]acetic acid
Molecular FormulaC11H9Br4N3O2
Molecular Weight534.82
XLogP4.4
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity387
SMILES
CN(C)C1=NC2=C(N1CC(=O)O)C(=C(C(=C2Br)Br)Br)Br
InChI
InChI=1S/C11H9Br4N3O2/c1-17(2)11-16-9-7(14)5(12)6(13)8(15)10(9)18(11)3-4(19)20/h3H2,1-2H3,(H,19,20)
InChIKey
PHAOTASRLQMKBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4,5,6,7-Tetrabromo-2-(Dimethylamino)-1h-Benzimidazol-1-Yl]acetic Acid
CAS: 905105-89-7
CID: 46943415
Formula: C11H9Br4N3O2
MW: 534.82
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.82
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass534.73873
Monoisotopic Mass530.74283
Topological Polar Surface Area58.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity387
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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