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MELK-8a

CAT: 0931-T62417-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62417-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1922153-17-0
Target
Haspin Kinase, Others, PDGFR, MELK
Related Pathways
Cell Cycle/Checkpoint, Tyrosine Kinase/Adaptors, PI3K/Akt/mTOR signaling, Angiogenesis, Others
Bioactivity
MELK-8a (NVS-MELK8a) is a potent and selective inhibitor of maternal embryonic leucine zipper kinase (MELK), with an IC50 of 2 nM and an IC50 of 0.42 μM in cellular assays. MELK is crucial in regulating mitosis in cancer cells.
Smiles
O(CC1CCNCC1)C=2C(=CC=NC2)C3=CN(N=C3)C4=CC=C(C=C4)N5CCN(C)CC5
Molecular Formula
C25H32N6O
Molecular Weight
432.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Methyl-4-[4-(4-{3-[(Piperidin-4-Yl)methoxy]pyridin-4-Yl}-1h-Pyrazol-1-Yl)phenyl]piperazine
CAS Number1922153-17-0
PubChem CID119058124
IUPAC Name1-methyl-4-[4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine
Molecular FormulaC25H32N6O
Molecular Weight432.6
XLogP2.7
Topological Polar Surface Area58.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity557
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)N3C=C(C=N3)C4=C(C=NC=C4)OCC5CCNCC5
InChI
InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3
InChIKey
BLFBSGVUERKSST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-4-[4-(4-{3-[(Piperidin-4-Yl)methoxy]pyridin-4-Yl}-1h-Pyrazol-1-Yl)phenyl]piperazine
CAS: 1922153-17-0
CID: 119058124
Formula: C25H32N6O
MW: 432.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight432.6
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass432.26375967
Monoisotopic Mass432.26375967
Topological Polar Surface Area58.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity557
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