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DMAT

CAT: 0498-bs-75546C-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75546C-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
749234-11-5
Conjugation
Unconjugated
Purity
>96% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO (10mg/ml) .
Smiles
CN(C)C1=NC2=C(Br)C(Br)=C(Br)C(Br)=C2N1
Molecular Formula
C9H7Br4N3
Molecular Weight
476.8
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
Solid.

Chemical Information

2-dimethylamino-4,5,6,7-tetrabromo-1H-benzimidazole

a protein kinase CK2 inhibitor; structure in first source

CAS Number749234-11-5
PubChem CID5326976
IUPAC Name4,5,6,7-tetrabromo-N,N-dimethyl-1H-benzimidazol-2-amine
Molecular FormulaC9H7Br4N3
Molecular Weight476.79
XLogP4.7
Topological Polar Surface Area31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity265
SMILES
CN(C)C1=NC2=C(N1)C(=C(C(=C2Br)Br)Br)Br
InChI
InChI=1S/C9H7Br4N3/c1-16(2)9-14-7-5(12)3(10)4(11)6(13)8(7)15-9/h1-2H3,(H,14,15)
InChIKey
SLPJGDQJLTYWCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-dimethylamino-4,5,6,7-tetrabromo-1H-benzimidazole
CAS: 749234-11-5
CID: 5326976
Formula: C9H7Br4N3
MW: 476.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.79
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass476.73325
Monoisotopic Mass472.73735
Topological Polar Surface Area31.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity265
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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