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JNJ-47117096

CAT: 0013-GTR19250061-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250061-01Size:50 mg
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Description
JNJ-47117096 is a potent, selective small molecule inhibitor of MELK (IC50=23 nM) and also potently inhibits Flt3 (IC50=18 nM) . This compound is a valuable research tool for investigating the roles of these kinases in cancer biology, supporting both in vitro and in vivo experimental studies.
CAS Number
1610586-62-3
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
O=C (NC1=CC=C2C (=C1) CCNCC2) C=3C=CC (=CC3OC) C=4C=NNC4
Molecular Formula
C21H22N4O2
Molecular Weight
362.425
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
CAS Number1610586-62-3
PubChem CID73442760
IUPAC Name2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
Molecular FormulaC21H22N4O2
Molecular Weight362.4
XLogP2.5
Topological Polar Surface Area79
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity503
SMILES
COC1=C(C=CC(=C1)C2=CNN=C2)C(=O)NC3=CC4=C(CCNCC4)C=C3
InChI
InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)
InChIKey
GMZCYCKIXQZORP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
CAS: 1610586-62-3
CID: 73442760
Formula: C21H22N4O2
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass362.17427596
Monoisotopic Mass362.17427596
Topological Polar Surface Area79 Ų
Heavy Atom Count27
Formal Charge0
Complexity503
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

CatalogName
HY-12420AJNJ-47117096
KPC53669-01Jnj-47117096 hydrochloride
A21542-5JNJ-47117096 hydrochloride 5mg
A21542-100JNJ-47117096 hydrochloride 100mg
A21542-50JNJ-47117096 hydrochloride 50mg
A21542-25JNJ-47117096 hydrochloride 25mg
A21542-10JNJ-47117096 hydrochloride 10mg
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