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TK4b

CAT: 0931-T61020-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61020-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2232890-81-0
Target
JAK, Others
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors, Chromatin/Epigenetic, JAK/STAT signaling, Others, Stem Cells
Bioactivity
TK4b can be used in the research of leukemia cancer and lymphoid-derived diseases. TK4b is a Janus kinase (JAK) inhibitor with the IC50 values of 18.42 nM and 19.40 nM for JAK3 and JAK2, respectively [1].
Smiles
C(C)N1N(C(=O)C(C(=O)C2=CC=CC=C2)=C1C)C3=CC(C)=C(C)C=C3
Molecular Formula
C21H22N2O2
Molecular Weight
334.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Benzoyl-2-(3,4-dimethylphenyl)-1-ethyl-5-methylpyrazol-3-one
CAS Number2232890-81-0
PubChem CID165412605
IUPAC Name4-benzoyl-2-(3,4-dimethylphenyl)-1-ethyl-5-methylpyrazol-3-one
Molecular FormulaC21H22N2O2
Molecular Weight334.4
XLogP4.6
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity562
SMILES
CCN1C(=C(C(=O)N1C2=CC(=C(C=C2)C)C)C(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C21H22N2O2/c1-5-22-16(4)19(20(24)17-9-7-6-8-10-17)21(25)23(22)18-12-11-14(2)15(3)13-18/h6-13H,5H2,1-4H3
InChIKey
FDITYPCGWONMKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Benzoyl-2-(3,4-dimethylphenyl)-1-ethyl-5-methylpyrazol-3-one
CAS: 2232890-81-0
CID: 165412605
Formula: C21H22N2O2
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass334.168127949
Monoisotopic Mass334.168127949
Topological Polar Surface Area40.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity562
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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