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ACY-775

CAT: 1568-C07365-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C07365-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1375466-18-4
SKU
C07365-5mg
Target
HDAC
Applications
DNA Damage/DNA Repair
Smiles
ONC (=O) C1=CN=C (NC2 (CCCCC2) C3=CC (=CC=C3) F) N=C1
Molecular Formula
C17H19FN4O2
Additionnal Information
ACY-775 is a potent and selective histone deacetylase 6 (HDAC6) inhibitor with IC50 of 7.5 nM.
Storage Conditions
3 years -20°C powder

Chemical Information

2-((1-(3-fluorophenyl)cyclohexyl)amino)-N-hydroxypyrimidine-5-carboxamide
CAS Number1375466-18-4
PubChem CID57382288
IUPAC Name2-[[1-(3-fluorophenyl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide
Molecular FormulaC17H19FN4O2
Molecular Weight330.36
XLogP2.5
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity423
SMILES
C1CCC(CC1)(C2=CC(=CC=C2)F)NC3=NC=C(C=N3)C(=O)NO
InChI
InChI=1S/C17H19FN4O2/c18-14-6-4-5-13(9-14)17(7-2-1-3-8-17)21-16-19-10-12(11-20-16)15(23)22-24/h4-6,9-11,24H,1-3,7-8H2,(H,22,23)(H,19,20,21)
InChIKey
IYBURCQQEUNLDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((1-(3-fluorophenyl)cyclohexyl)amino)-N-hydroxypyrimidine-5-carboxamide
CAS: 1375466-18-4
CID: 57382288
Formula: C17H19FN4O2
MW: 330.36
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight330.36
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass330.14920402
Monoisotopic Mass330.14920402
Topological Polar Surface Area87.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity423
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