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DCN1-UBC12-IN-4

CAT: 0931-T201628-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T201628-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
26028-65-9
Target
E1/E2/E3 Enzyme
Related Pathways
Ubiquitination
Purity
0.9832
Bioactivity
DCN1-UBC12-IN-4 (compound 5p) is an inhibitor of DCN1-UBC12 (IC50 > 10 μM), applicable for investigating cancer cell migration and invasion.
Smiles
S=C1NN=C(N1)C=2C=CC(Cl)=CC2
Molecular Formula
C8H6ClN3S
Molecular Weight
211.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol

5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione is a member of triazoles.

CAS Number26028-65-9
PubChem CID689099
IUPAC Name5-(4-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Molecular FormulaC8H6ClN3S
Molecular Weight211.67
XLogP2.5
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity246
SMILES
C1=CC(=CC=C1C2=NC(=S)NN2)Cl
InChI
InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
InChIKey
NHEHIODVWGKDFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
CAS: 26028-65-9
CID: 689099
Formula: C8H6ClN3S
MW: 211.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.67
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass210.9970961
Monoisotopic Mass210.9970961
Topological Polar Surface Area68.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity246
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
HY-W264347DCN1-UBC12-IN-4
GTR19184796-01DCN1-UBC12-IN-2
HY-142692DCN1-UBC12-IN-3
HY-142691DCN1-UBC12-IN-1
sc-390064UBC12 (D-4)
sc-390064 FITCUBC12 (D-4) FITC
sc-390064 HRPUBC12 (D-4) HRP
sc-390064 ACUBC12 (D-4) AC
sc-390064 PEUBC12 (D-4) PE
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