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Necrostatin-34

CAT: 0607-BA3506-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3506-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
375835-43-1
Form
A solid
Molecular Formula
C18H16N4O2S2
Molecular Weight
384.48
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Necrostatin-34
CAS Number375835-43-1
PubChem CID3841655
IUPAC Name2-[[5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Molecular FormulaC18H16N4O2S2
Molecular Weight384.5
XLogP2.2
Topological Polar Surface Area148
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity634
SMILES
CC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=NC=CS3
InChI
InChI=1S/C18H16N4O2S2/c1-11-2-4-12(5-3-11)13-8-15(23)21-17(14(13)9-19)26-10-16(24)22-18-20-6-7-25-18/h2-7,13H,8,10H2,1H3,(H,21,23)(H,20,22,24)
InChIKey
LOQIRQHGJVGIEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Necrostatin-34
CAS: 375835-43-1
CID: 3841655
Formula: C18H16N4O2S2
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass384.07146811
Monoisotopic Mass384.07146811
Topological Polar Surface Area148 Ų
Heavy Atom Count26
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes