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TPCA-1

CAT: 0607-A4602-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-A4602-5.1Size:10 mM (in 1mL DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IKK-2 inhibitor,potent and selective
CAS Number
507475-17-4
Product Name Alternative
2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
Field of Research
Immunology Inflammation IκB IKK
Purity
0.9803
Form
A solid
Solubility
insoluble in H2O; ≥13.95 mg/mL in DMSO; ≥2.53 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F
Molecular Formula
C12H10FN3O2S
Molecular Weight
279.29
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

Tpca-1

2-(carbamoylamino)-5-(4-fluorophenyl)-3-thiophenecarboxamide is a member of thiophenes and an aromatic amide.

CAS Number507475-17-4
PubChem CID9903786
IUPAC Name2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
Molecular FormulaC12H10FN3O2S
Molecular Weight279.29
XLogP1.7
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity361
SMILES
C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F
InChI
InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
InChIKey
SAYGKHKXGCPTLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tpca-1
CAS: 507475-17-4
CID: 9903786
Formula: C12H10FN3O2S
MW: 279.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.29
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass279.04777591
Monoisotopic Mass279.04777591
Topological Polar Surface Area126 Ų
Heavy Atom Count19
Formal Charge0
Complexity361
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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CatalogName
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