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TCS 401

CAT: 0931-T7381-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T7381-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
243966-09-8
Target
Phosphatase
Related Pathways
Metabolism
Purity
0.9865
Bioactivity
TCS 401 is a selective inhibitor of protein-tyrosine phosphatase 1B (PTP1B) with a Ki value of 0.29 μM.
Smiles
Cl.OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O
Molecular Formula
C10H11ClN2O5S
Molecular Weight
306.72
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(Carboxycarbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carboxylic acid hydrochloride
CAS Number243966-09-8
PubChem CID56972185
IUPAC Name2-(oxaloamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid;hydrochloride
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.72
Topological Polar Surface Area144
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity388
SMILES
C1CNCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O.Cl
InChI
InChI=1S/C10H10N2O5S.ClH/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8;/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17);1H
InChIKey
LQGCAMWQDSYOAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(Carboxycarbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carboxylic acid hydrochloride
CAS: 243966-09-8
CID: 56972185
Formula: C10H11ClN2O5S
MW: 306.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.72
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass306.0077203
Monoisotopic Mass306.0077203
Topological Polar Surface Area144 Ų
Heavy Atom Count19
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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