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SHIP-2a

CAT: 0931-T28770-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T28770-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1250186-20-9
Target
Others
Related Pathways
Others
Bioactivity
SHIP-2a is a cystathione γ lyase (CSE) inhibitor with IC50 value of 6.3 μM.
Smiles
C(NCC#C)(=O)C1NC(=O)SC1
Molecular Formula
C7H8N2O2S
Molecular Weight
184.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SHIP 2a
CAS Number1250186-20-9
PubChem CID60865159
IUPAC Name2-oxo-N-prop-2-ynyl-1,3-thiazolidine-4-carboxamide
Molecular FormulaC7H8N2O2S
Molecular Weight184.22
XLogP-0.2
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity255
SMILES
C#CCNC(=O)C1CSC(=O)N1
InChI
InChI=1S/C7H8N2O2S/c1-2-3-8-6(10)5-4-12-7(11)9-5/h1,5H,3-4H2,(H,8,10)(H,9,11)
InChIKey
MWEQVHWJNCRXGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SHIP 2a
CAS: 1250186-20-9
CID: 60865159
Formula: C7H8N2O2S
MW: 184.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.22
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass184.03064868
Monoisotopic Mass184.03064868
Topological Polar Surface Area83.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity255
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

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