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KT-531

CAT: 1568-C01468-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01468-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2490284-18-7
SKU
C01468-5mg
Target
HDAC
Applications
DNA Damage/DNA Repair
Smiles
ONC (=O) C1=CC=C (CN (C2CC2) [S; v6] (=O) (=O) C3=C (F) C (=C (F) C (=C3) F) F) C=C1
Additionnal Information
KT-531 (KT531) is a potent, selective HDAC6 inhibitor with IC50 of 8.5 nM, displays 39-fold selectivity over other HDAC isoforms.
Storage Conditions
3 years -20°C powder

Chemical Information

4-[[cyclopropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide
CAS Number2490284-18-7
PubChem CID155155639
IUPAC Name4-[[cyclopropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide
Molecular FormulaC17H14F4N2O4S
Molecular Weight418.4
XLogP2.3
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity665
SMILES
C1CC1N(CC2=CC=C(C=C2)C(=O)NO)S(=O)(=O)C3=C(C(=C(C(=C3)F)F)F)F
InChI
InChI=1S/C17H14F4N2O4S/c18-12-7-13(15(20)16(21)14(12)19)28(26,27)23(11-5-6-11)8-9-1-3-10(4-2-9)17(24)22-25/h1-4,7,11,25H,5-6,8H2,(H,22,24)
InChIKey
HYEWQOQZANKATO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[cyclopropyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide
CAS: 2490284-18-7
CID: 155155639
Formula: C17H14F4N2O4S
MW: 418.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass418.06104075
Monoisotopic Mass418.06104075
Topological Polar Surface Area95.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity665
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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