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MIND4-19

CAT: 0931-T9998-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T9998-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129544-85-0
Target
Sirtuin
Related Pathways
Chromatin/Epigenetic, DNA Damage/DNA Repair
Purity
0.9999
Bioactivity
MIND4-19 is an inhibitor of SIRT2 with antitumor activity.
Smiles
C(Oc1ccccc1)c1nnc(SCc2ccccc2)n1-c1ccccc1
Molecular Formula
C22H19N3OS
Molecular Weight
373.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole
CAS Number129544-85-0
PubChem CID1162727
IUPAC Name3-benzylsulfanyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
Molecular FormulaC22H19N3OS
Molecular Weight373.5
XLogP4.9
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity420
SMILES
C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4
InChI
InChI=1S/C22H19N3OS/c1-4-10-18(11-5-1)17-27-22-24-23-21(16-26-20-14-8-3-9-15-20)25(22)19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKey
SSZGXGUFAAHHAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Benzylthio)-5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazole
CAS: 129544-85-0
CID: 1162727
Formula: C22H19N3OS
MW: 373.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.5
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass373.12488341
Monoisotopic Mass373.12488341
Topological Polar Surface Area65.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity420
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
BA4524-5MIND4-19
GTR19193545-01MIND4
BA8627-50MIND4-17
ARC0416KU-19-19
138560-AFKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19)
138560-AF-FITCKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19) (FITC)
138560-AF-BiotinKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19) (Biotin)
138560-AF-APCKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19) (APC)

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