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Nek2/Hec1-IN-2

CAT: 0931-T86991-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86991-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
544416-00-4
Target
MAPK
Related Pathways
MAPK
Bioactivity
Compound 14 (Nek2/Hec1-IN-2) acts as an inhibitor of Nek2/Hec1, effectively curbing cancer cell proliferation with an IC 50 exceeding 25 μM [1].
Smiles
CC1=C(C=2N=C(NC(=O)C=3C=NC=CN3)SC2)C=CC(C)=C1
Molecular Formula
C16H14N4OS
Molecular Weight
310.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-(2,4-dimethylphenyl)thiazol-2-yl)pyrazine-2-carboxamide
CAS Number544416-00-4
PubChem CID3275769
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
Molecular FormulaC16H14N4OS
Molecular Weight310.4
XLogP2.7
Topological Polar Surface Area96
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity394
SMILES
CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=NC=CN=C3)C
InChI
InChI=1S/C16H14N4OS/c1-10-3-4-12(11(2)7-10)14-9-22-16(19-14)20-15(21)13-8-17-5-6-18-13/h3-9H,1-2H3,(H,19,20,21)
InChIKey
GANRESSEAJEWSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(2,4-dimethylphenyl)thiazol-2-yl)pyrazine-2-carboxamide
CAS: 544416-00-4
CID: 3275769
Formula: C16H14N4OS
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass310.08883226
Monoisotopic Mass310.08883226
Topological Polar Surface Area96 Ų
Heavy Atom Count22
Formal Charge0
Complexity394
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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Alternative Products

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HY-153749-01Nek2/Hec1-IN-2
GTR19263716-01Nek2/Hec1-IN-3
B2924-25Nek2/Hec1 inhibitor
HY-136747-01Nek2/Hec1-IN-1
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