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JMS-053

CAT: 0013-GTR19188082Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188082Size:1 mg
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Description
JMS-053
CAS Number
1954650-11-3
Product Name Alternative
DUSP3, Phosphatase
Field of Research
Epigenetics & Chromatin, Metabolism Research, Signal Transduction, Stem Cell & Developmental Biology
Purity
≥98.0% (May vary between batches)
Solubility
DMSO:5 mg/mL (19.51 mM)
Smiles
O=C1C2=C (SC (=C2) C3=CC=CC=C3) C (=N) C (=O) N1
Molecular Formula
C13H8N2O2S
Molecular Weight
256.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jms-053

a potent and selective PTP4A tyrosine phosphatase inhibitor

CAS Number1954650-11-3
PubChem CID124141953
IUPAC Name7-imino-2-phenylthieno[3,2-c]pyridine-4,6-dione
Molecular FormulaC13H8N2O2S
Molecular Weight256.28
XLogP2.4
Topological Polar Surface Area98.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity404
SMILES
C1=CC=C(C=C1)C2=CC3=C(S2)C(=N)C(=O)NC3=O
InChI
InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)
InChIKey
CQHAROORCYWRRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jms-053
CAS: 1954650-11-3
CID: 124141953
Formula: C13H8N2O2S
MW: 256.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.28
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass256.03064868
Monoisotopic Mass256.03064868
Topological Polar Surface Area98.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity404
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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