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ITF3756

CAT: 0931-T69735-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69735-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2247608-27-9
Target
HDAC
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic
Purity
0.9774
Bioactivity
ITF3756 is a selective HDAC6 inhibitor.
Smiles
C(N1C(=NN=N1)C2=CC=CS2)C3=CC=C(C(NO)=O)C=C3
Molecular Formula
C13H11N5O2S
Molecular Weight
301.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-hydroxy-4-((5-(thiophen-2-yl)-1H-tetrazol-1-yl)methyl)benzamide
CAS Number2247608-27-9
PubChem CID135357843
IUPAC NameN-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide
Molecular FormulaC13H11N5O2S
Molecular Weight301.33
XLogP1.3
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity364
SMILES
C1=CSC(=C1)C2=NN=NN2CC3=CC=C(C=C3)C(=O)NO
InChI
InChI=1S/C13H11N5O2S/c19-13(15-20)10-5-3-9(4-6-10)8-18-12(14-16-17-18)11-2-1-7-21-11/h1-7,20H,8H2,(H,15,19)
InChIKey
UFUGFWWXDWPEQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-hydroxy-4-((5-(thiophen-2-yl)-1H-tetrazol-1-yl)methyl)benzamide
CAS: 2247608-27-9
CID: 135357843
Formula: C13H11N5O2S
MW: 301.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.33
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass301.06334578
Monoisotopic Mass301.06334578
Topological Polar Surface Area121 Ų
Heavy Atom Count21
Formal Charge0
Complexity364
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
E1469-25mgITF3756

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