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PAIB-SOs-12

CAT: 0931-T200421-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T200421-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1422528-30-0
Target
Others
Related Pathways
Others
Purity
0.9995
Bioactivity
PAIB-SOs-12 is an anti-mitotic compound that shows anti-proliferative activity at low concentrations and induces cytoskeletal damage in MCF7 cells.
Smiles
O=C1N(C2=CC=C(C=C2)S(=O)(=O)OC=3C=C(Cl)C=C(Cl)C3)CCN1CCCCC
Molecular Formula
C20H22Cl2N2O4S
Molecular Weight
457.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,5-Dichlorophenyl 4-(2-oxo-3-pentylimidazolidin-1-yl)benzenesulfonate
CAS Number1422528-30-0
PubChem CID71532652
IUPAC Name(3,5-dichlorophenyl) 4-(2-oxo-3-pentylimidazolidin-1-yl)benzenesulfonate
Molecular FormulaC20H22Cl2N2O4S
Molecular Weight457.4
XLogP5.2
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity639
SMILES
CCCCCN1CCN(C1=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C20H22Cl2N2O4S/c1-2-3-4-9-23-10-11-24(20(23)25)17-5-7-19(8-6-17)29(26,27)28-18-13-15(21)12-16(22)14-18/h5-8,12-14H,2-4,9-11H2,1H3
InChIKey
BUJXPRDHAJNAMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dichlorophenyl 4-(2-oxo-3-pentylimidazolidin-1-yl)benzenesulfonate
CAS: 1422528-30-0
CID: 71532652
Formula: C20H22Cl2N2O4S
MW: 457.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass456.0677337
Monoisotopic Mass456.0677337
Topological Polar Surface Area75.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity639
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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