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JIB-04

CAT: 0607-B1579-20Size: 20 mgDry Ice: NoHazardous: No
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CAT#:0607-B1579-20Size:20 mg
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Description
Jumonji histone demethylase inihibitor
CAS Number
199596-05-9
Product Name Alternative
5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
Purity
0.9895
Solubility
insoluble in H2O; ≥14.2 mg/mL in DMSO; ≥2.83 mg/mL in EtOH with ultrasonic
Smiles
C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3
Molecular Formula
C17H13ClN4
Molecular Weight
308.76
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

5-Chloro-2-{2-[phenyl(pyridin-2-yl)methylidene]hydrazin-1-yl}pyridine
CAS Number199596-05-9
PubChem CID6519698
IUPAC Name5-chloro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
Molecular FormulaC17H13ClN4
Molecular Weight308.8
XLogP4.6
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity368
SMILES
C1=CC=C(C=C1)/C(=N\NC2=NC=C(C=C2)Cl)/C3=CC=CC=N3
InChI
InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
InChIKey
YHHFKWKMXWRVTJ-OQKWZONESA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-{2-[phenyl(pyridin-2-yl)methylidene]hydrazin-1-yl}pyridine
CAS: 199596-05-9
CID: 6519698
Formula: C17H13ClN4
MW: 308.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.8
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass308.0828741
Monoisotopic Mass308.0828741
Topological Polar Surface Area50.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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