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Nek2/Hec1-IN-3

CAT: 0013-GTR19263716-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263716-01Size:10 mg
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Description
Nek2/Hec1-IN-3 (Compound 11-28) is an inhibitor of the Hec1/Nek2 interaction. It disrupts the binding between Nek2 and Hec1 and is applicable for research in tumor diseases.
CAS Number
457940-87-3
Field of Research
Signal Transduction
Smiles
O=C (NC1=NC (=CS1) C=2C=CC (=CC2) C) C3=NC=CC=C3
Molecular Formula
C16H13N3OS
Molecular Weight
295.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[4-(4-Methylphenyl)-2-thiazolyl]-2-pyridinecarboxamide
CAS Number457940-87-3
PubChem CID16619036
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
Molecular FormulaC16H13N3OS
Molecular Weight295.4
XLogP3.4
Topological Polar Surface Area83.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity357
SMILES
CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=N3
InChI
InChI=1S/C16H13N3OS/c1-11-5-7-12(8-6-11)14-10-21-16(18-14)19-15(20)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,19,20)
InChIKey
DAIASWMZQYEEEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-(4-Methylphenyl)-2-thiazolyl]-2-pyridinecarboxamide
CAS: 457940-87-3
CID: 16619036
Formula: C16H13N3OS
MW: 295.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass295.07793322
Monoisotopic Mass295.07793322
Topological Polar Surface Area83.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity357
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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