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Poloxin

CAT: 0607-A3732-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-A3732-5.1Size:10 mM (in 1mL DMSO)
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Description
PLK1 inhibitor
CAS Number
321688-88-4
Product Name Alternative
[(Z)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 2-methylbenzoate
Field of Research
Cell Cycle Checkpoint PLK
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; ≥14.85 mg/mL in DMSO; ≥40.3 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CC1=CC=CC=C1C(=O)ON=C2C=C(C(=O)C=C2C)C(C)C
Molecular Formula
C18H19NO3
Molecular Weight
297.35
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Poloxin

a polo-box domain inhibitor; structure in first source

CAS Number321688-88-4
PubChem CID9613592
IUPAC Name[(Z)-(2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene)amino] 2-methylbenzoate
Molecular FormulaC18H19NO3
Molecular Weight297.3
XLogP3.9
Topological Polar Surface Area55.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity555
SMILES
CC1=CC=CC=C1C(=O)O/N=C\2/C=C(C(=O)C=C2C)C(C)C
InChI
InChI=1S/C18H19NO3/c1-11(2)15-10-16(13(4)9-17(15)20)19-22-18(21)14-8-6-5-7-12(14)3/h5-11H,1-4H3/b19-16-
InChIKey
CMOJHDQJJPIVEC-MNDPQUGUSA-N
Chemical Structure
2D Structure
2D structure of Poloxin
CAS: 321688-88-4
CID: 9613592
Formula: C18H19NO3
MW: 297.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.3
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass297.13649347
Monoisotopic Mass297.13649347
Topological Polar Surface Area55.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity555
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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