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IIP0943

CAT: 0013-GTR19258767-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258767-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IIP0943 is a selective PLK1 (polo-like kinase 1) inhibitor with an IC50 of 5.1 nM for PLK1. It also exhibits inhibitory activity on the proliferation of HCT116 cells, with an IC50 of 0.22 μM. IIP0943 shows potential for research in the field of oncology.
CAS Number
3040106-93-9
Field of Research
Cell Biology
Smiles
O=C (N) C=1SC=2C (OC3=NC (=NC=C3C) NC4=CC (=CC=C4OC) N5CCN (C) CC5) =CC=CC2C1
Molecular Formula
C26H28N6O3S
Molecular Weight
504.604
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-[2-[2-Methoxy-5-(4-methylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]oxy-1-benzothiophene-2-carboxamide
CAS Number3040106-93-9
PubChem CID171479575
IUPAC Name7-[2-[2-methoxy-5-(4-methylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]oxy-1-benzothiophene-2-carboxamide
Molecular FormulaC26H28N6O3S
Molecular Weight504.6
XLogP4.4
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity740
SMILES
CC1=CN=C(N=C1OC2=CC=CC3=C2SC(=C3)C(=O)N)NC4=C(C=CC(=C4)N5CCN(CC5)C)OC
InChI
InChI=1S/C26H28N6O3S/c1-16-15-28-26(29-19-14-18(7-8-20(19)34-3)32-11-9-31(2)10-12-32)30-25(16)35-21-6-4-5-17-13-22(24(27)33)36-23(17)21/h4-8,13-15H,9-12H2,1-3H3,(H2,27,33)(H,28,29,30)
InChIKey
YIEWJFWMQNWMJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[2-[2-Methoxy-5-(4-methylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]oxy-1-benzothiophene-2-carboxamide
CAS: 3040106-93-9
CID: 171479575
Formula: C26H28N6O3S
MW: 504.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.6
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass504.19435995
Monoisotopic Mass504.19435995
Topological Polar Surface Area134 Ų
Heavy Atom Count36
Formal Charge0
Complexity740
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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CatalogName
T206115-01IIP0943

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