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C25-140

CAT: 0931-T7889-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T7889-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1358099-18-9
Target
E1/E2/E3 Enzyme, NF-κB, TNF
Related Pathways
NF-κB, Apoptosis, Ubiquitination
Purity
>99.99%
Bioactivity
C25-140 is a small-molecule inhibitor of TRAF6-Ubc13.
Smiles
Cc1nn(c(C)c1CCC(=O)N1CCC(Cc2ccccc2)CC1)-c1ccc2nnc(C)n2n1
Molecular Formula
C26H31N7O
Molecular Weight
457.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-Benzylpiperidin-1-yl)-3-(3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl)propan-1-one
CAS Number1358099-18-9
PubChem CID53093165
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]propan-1-one
Molecular FormulaC26H31N7O
Molecular Weight457.6
XLogP3.6
Topological Polar Surface Area81.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity678
SMILES
CC1=C(C(=NN1C2=NN3C(=NN=C3C=C2)C)C)CCC(=O)N4CCC(CC4)CC5=CC=CC=C5
InChI
InChI=1S/C26H31N7O/c1-18-23(19(2)32(29-18)25-11-10-24-28-27-20(3)33(24)30-25)9-12-26(34)31-15-13-22(14-16-31)17-21-7-5-4-6-8-21/h4-8,10-11,22H,9,12-17H2,1-3H3
InChIKey
HFKVRXVHZGBRKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Benzylpiperidin-1-yl)-3-(3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1H-pyrazol-4-yl)propan-1-one
CAS: 1358099-18-9
CID: 53093165
Formula: C26H31N7O
MW: 457.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.6
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass457.25900864
Monoisotopic Mass457.25900864
Topological Polar Surface Area81.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity678
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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Alternative Products

CatalogName
7715/50C25-140
A18705-1C25-140 1mg
A18705-25C25-140 25mg
A18705-100C25-140 100mg
A18705-10C25-140 10mg

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