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NSC-639829

CAT: 0804-HY-117481-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-117481-01Size:1 mg
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Description
NSC-639829 is a Benzoylphenylurea (BPU) analogue which has antitumor activity. NSC-639829 is promising for research of refractory metastatic cancer[1].
CAS Number
134742-19-1
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nsc-639829.html
Smiles
O=C(NC1=CC=C(C(C)=C1)OC2=NC=C(C=N2)Br)NC(C3=C(N(C)C)C=CC=C3)=O
Molecular Formula
C21H20BrN5O3
Molecular Weight
470.32
References & Citations
[1]Hallur G, et al. Benzoylphenylurea sulfur analogues with potent antitumor activity. J Med Chem. 2006 Apr 6;49 (7) :2357-60.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Benzoylphenylurea

Benzoylphenylurea is an organic molecular entity. It has a role as an insecticide.

CAS Number134742-19-1
PubChem CID19851629
IUPAC NameN-carbamoyl-N-phenylbenzamide
Molecular FormulaC14H12N2O2
Molecular Weight240.26
XLogP2.7
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity305
SMILES
C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C14H12N2O2/c15-14(18)16(12-9-5-2-6-10-12)13(17)11-7-3-1-4-8-11/h1-10H,(H2,15,18)
InChIKey
XYFMGGWVGACNEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzoylphenylurea
CAS: 134742-19-1
CID: 19851629
Formula: C14H12N2O2
MW: 240.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight240.26
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass240.089877630
Monoisotopic Mass240.089877630
Topological Polar Surface Area63.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity305
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