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IKK2-IN-4

CAT: 0013-GTR19244087-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244087-02Size:1 g
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Description
IKK2-IN-4 (compound 4) is a potent IKK-2 inhibitor, with an IC50 of 25 nM. IKK2-IN-4 can inhibit the LPS-induced production of TNFα in PBMCs.
CAS Number
354811-10-2
Field of Research
Signal Transduction
Purity
>98% (HPLC)
Smiles
N (C (N) =O) C=1SC (=CC1C (N) =O) C2=CC=CC=C2
Molecular Formula
C12H11N3O2S
Molecular Weight
261.3
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

5-Phenyl-2-Ureidothiophene-3-Carboxamide
CAS Number354811-10-2
PubChem CID6419765
IUPAC Name2-(carbamoylamino)-5-phenylthiophene-3-carboxamide
Molecular FormulaC12H11N3O2S
Molecular Weight261.30
XLogP1.6
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity331
SMILES
C1=CC=C(C=C1)C2=CC(=C(S2)NC(=O)N)C(=O)N
InChI
InChI=1S/C12H11N3O2S/c13-10(16)8-6-9(7-4-2-1-3-5-7)18-11(8)15-12(14)17/h1-6H,(H2,13,16)(H3,14,15,17)
InChIKey
PSVUSJKZJQMCSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Phenyl-2-Ureidothiophene-3-Carboxamide
CAS: 354811-10-2
CID: 6419765
Formula: C12H11N3O2S
MW: 261.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.30
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass261.05719778
Monoisotopic Mass261.05719778
Topological Polar Surface Area126 Ų
Heavy Atom Count18
Formal Charge0
Complexity331
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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