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HPOB

CAT: 0607-B4890-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B4890-25Size:25 mg
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Description
HDAC6 inhibitor, potent and selective
CAS Number
1429651-50-2
Product Name Alternative
N-hydroxy-4-(2-((2-hydroxyethyl)(phenyl)amino)-2-oxoethyl)benzamide
Field of Research
Chromatin Epigenetics HDAC
Purity
0.9804
Form
A crystalline solid
Solubility
≥31.4 mg/mL in DMSO; insoluble in H2O; ≥11.4 mg/mL in EtOH
Smiles
OCCN(C(CC1=CC=C(C(NO)=O)C=C1)=O)C2=CC=CC=C2
Molecular Formula
C17H18N2O4
Molecular Weight
314.34
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Hpob
CAS Number1429651-50-2
PubChem CID71532921
IUPAC NameN-hydroxy-4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]benzamide
Molecular FormulaC17H18N2O4
Molecular Weight314.34
XLogP1
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity388
SMILES
C1=CC=C(C=C1)N(CCO)C(=O)CC2=CC=C(C=C2)C(=O)NO
InChI
InChI=1S/C17H18N2O4/c20-11-10-19(15-4-2-1-3-5-15)16(21)12-13-6-8-14(9-7-13)17(22)18-23/h1-9,20,23H,10-12H2,(H,18,22)
InChIKey
RFAZNTABYJYOAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hpob
CAS: 1429651-50-2
CID: 71532921
Formula: C17H18N2O4
MW: 314.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight314.34
XLogP31
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass314.12665706
Monoisotopic Mass314.12665706
Topological Polar Surface Area89.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity388
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