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BRD-73954

CAT: 1410-M11867-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M11867-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
The first HDAC6/8 dual inhibitor with IC50s of 36/120 nM.
CAS Number
1440209-96-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
284.3098
Molecular Formula
C16H16N2O3
Notes
Research use only, not for human use.
Receptor
HDAC2|HDAC4|HDAC6|HDAC8

Chemical Information

3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CAS Number1440209-96-0
PubChem CID71680913
IUPAC Name3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
Molecular FormulaC16H16N2O3
Molecular Weight284.31
XLogP1.9
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity353
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)C(=O)NO
InChI
InChI=1S/C16H16N2O3/c19-15(17-10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(20)18-21/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)
InChIKey
FIHKWEQJEDRIFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CAS: 1440209-96-0
CID: 71680913
Formula: C16H16N2O3
MW: 284.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.31
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass284.11609238
Monoisotopic Mass284.11609238
Topological Polar Surface Area78.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity353
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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