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Nek2/Hec1-IN-1

CAT: 0013-GTR19261454-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19261454-01Size:1 mg
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Description
Nek2/Hec1-IN-1 (Nec2/Hec1 inhibitor) is a derivative of INH1 with anticancer properties. It exhibits cytotoxicity against MDA-MB-231, MDA-MB-488, HeLa, and K562 cells with IC50 values of 1.1, 3.4, 1.6, and 1.2 μM, respectively.
CAS Number
560103-80-2
Field of Research
Signal Transduction
Smiles
O=C (NC1=NC (=CS1) C=2C=CC (=CC2C) C) C=3C=CN=CC3
Molecular Formula
C17H15N3OS
Molecular Weight
309.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

n-[4-(2,4-Dimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide
CAS Number560103-80-2
PubChem CID4363180
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
Molecular FormulaC17H15N3OS
Molecular Weight309.4
XLogP3.4
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity386
SMILES
CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=NC=C3)C
InChI
InChI=1S/C17H15N3OS/c1-11-3-4-14(12(2)9-11)15-10-22-17(19-15)20-16(21)13-5-7-18-8-6-13/h3-10H,1-2H3,(H,19,20,21)
InChIKey
IBQLKKBLBXJSGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of n-[4-(2,4-Dimethylphenyl)-2-thiazolyl]-4-pyridinecarboxamide
CAS: 560103-80-2
CID: 4363180
Formula: C17H15N3OS
MW: 309.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass309.09358328
Monoisotopic Mass309.09358328
Topological Polar Surface Area83.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity386
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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