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QTX125

CAT: 0931-T35661-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T35661-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1279698-31-5
Target
Apoptosis, Others, HDAC
Related Pathways
Apoptosis, Chromatin/Epigenetic, DNA Damage/DNA Repair, Others
Bioactivity
QTX125, a powerful and highly specific HDAC6 inhibitor, demonstrates exceptional selectivity in comparison to other HDACs, resulting in robust antitumor activity[1].
Smiles
C(NCC1=CC=C(C(NO)=O)C=C1)(=O)C2=C(C=C(N2)C3=CC=C(O)C=C3)C=4C=COC4
Molecular Formula
C23H19N3O5
Molecular Weight
417.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(furan-3-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CAS Number1279698-31-5
PubChem CID84973025
IUPAC Name3-(furan-3-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
Molecular FormulaC23H19N3O5
Molecular Weight417.4
XLogP2.6
Topological Polar Surface Area128
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity616
SMILES
C1=CC(=CC=C1CNC(=O)C2=C(C=C(N2)C3=CC=C(C=C3)O)C4=COC=C4)C(=O)NO
InChI
InChI=1S/C23H19N3O5/c27-18-7-5-15(6-8-18)20-11-19(17-9-10-31-13-17)21(25-20)23(29)24-12-14-1-3-16(4-2-14)22(28)26-30/h1-11,13,25,27,30H,12H2,(H,24,29)(H,26,28)
InChIKey
OUFJXJJAONPLLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(furan-3-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CAS: 1279698-31-5
CID: 84973025
Formula: C23H19N3O5
MW: 417.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.4
XLogP32.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass417.13247072
Monoisotopic Mass417.13247072
Topological Polar Surface Area128 Ų
Heavy Atom Count31
Formal Charge0
Complexity616
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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