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NSC654259

CAT: 0013-GTR19209544-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209544-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NSC654259, a BPU-based compound, potently inhibits tubulin polymerization in vitro. This activity makes it a useful chemical tool for studying cytoskeleton dynamics, cell division, and for the preclinical investigation of potential anti-mitotic agents in cancer research.
CAS Number
150068-95-4
Smiles
Cl.Cc1cc (NC (=O) NC (=O) c2ccccc2NC (=O) CN) ccc1Oc1ncc (Br) cn1
Molecular Formula
C21H20BrClN6O4
Molecular Weight
535.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Glycylaminophenylbenzoylurea (HCl salt)
CAS Number150068-95-4
PubChem CID375119
IUPAC Name2-[(2-aminoacetyl)amino]-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]benzamide;hydrochloride
Molecular FormulaC21H20BrClN6O4
Molecular Weight535.8
Topological Polar Surface Area148
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity660
SMILES
CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)CN)OC3=NC=C(C=N3)Br.Cl
InChI
InChI=1S/C21H19BrN6O4.ClH/c1-12-8-14(6-7-17(12)32-21-24-10-13(22)11-25-21)26-20(31)28-19(30)15-4-2-3-5-16(15)27-18(29)9-23;/h2-8,10-11H,9,23H2,1H3,(H,27,29)(H2,26,28,30,31);1H
InChIKey
ZMRUVPSSBFAZBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycylaminophenylbenzoylurea (HCl salt)
CAS: 150068-95-4
CID: 375119
Formula: C21H20BrClN6O4
MW: 535.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass534.04179
Monoisotopic Mass534.04179
Topological Polar Surface Area148 Ų
Heavy Atom Count33
Formal Charge0
Complexity660
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M12087-01NSC654259

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