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LS-104

CAT: 0931-T69348-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69348-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
368836-72-0
Target
JAK, FLT, Apoptosis, Others, Bcr-Abl
Related Pathways
Angiogenesis, Apoptosis, Stem Cells, Others, Cytoskeletal Signaling, Chromatin/Epigenetic, Tyrosine Kinase/Adaptors, JAK/STAT signaling
Bioactivity
LS-104 is a JAK2 inhibitor.
Smiles
C(=C/C=C(/C(NCC1=CC=CC=C1)=O)\C#N)\C2=CC(O)=C(O)C=C2
Molecular Formula
C19H16N2O3
Molecular Weight
320.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ls-104
CAS Number368836-72-0
PubChem CID9861871
IUPAC Name(2E,4E)-N-benzyl-2-cyano-5-(3,4-dihydroxyphenyl)penta-2,4-dienamide
Molecular FormulaC19H16N2O3
Molecular Weight320.3
XLogP3.1
Topological Polar Surface Area93.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity526
SMILES
C1=CC=C(C=C1)CNC(=O)/C(=C/C=C/C2=CC(=C(C=C2)O)O)/C#N
InChI
InChI=1S/C19H16N2O3/c20-12-16(19(24)21-13-15-5-2-1-3-6-15)8-4-7-14-9-10-17(22)18(23)11-14/h1-11,22-23H,13H2,(H,21,24)/b7-4+,16-8+
InChIKey
DTCCYSMPUUYHOF-LHQXNBGVSA-N
Chemical Structure
2D Structure
2D structure of Ls-104
CAS: 368836-72-0
CID: 9861871
Formula: C19H16N2O3
MW: 320.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.3
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass320.11609238
Monoisotopic Mass320.11609238
Topological Polar Surface Area93.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity526
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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