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HDAC/HSP90-IN-3

CAT: 0013-GTR19185118-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185118-01Size:25 mg
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Description
HDAC/HSP90-IN-3
CAS Number
2700035-54-5
Field of Research
Epigenetics & Chromatin, Infectious Disease & Virology, Metabolism Research, Molecular Biology, Signal Transduction
Smiles
O=C1N (C (=NN1) C2=CC (C (C) C) =C (O) C=C2O) C3=CC=C (C (NCCCCCCCC (NO) =O) =O) C=C3
Molecular Formula
C26H33N5O6
Molecular Weight
511.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hdac/hsp90-IN-3
CAS Number2700035-54-5
PubChem CID163408819
IUPAC Name4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-oxo-1H-1,2,4-triazol-4-yl]-N-[8-(hydroxyamino)-8-oxooctyl]benzamide
Molecular FormulaC26H33N5O6
Molecular Weight511.6
XLogP3.2
Topological Polar Surface Area164
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity813
SMILES
CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC=C(C=C3)C(=O)NCCCCCCCC(=O)NO)O)O
InChI
InChI=1S/C26H33N5O6/c1-16(2)19-14-20(22(33)15-21(19)32)24-28-29-26(36)31(24)18-11-9-17(10-12-18)25(35)27-13-7-5-3-4-6-8-23(34)30-37/h9-12,14-16,32-33,37H,3-8,13H2,1-2H3,(H,27,35)(H,29,36)(H,30,34)
InChIKey
BRUPUVXRSAQMIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac/hsp90-IN-3
CAS: 2700035-54-5
CID: 163408819
Formula: C26H33N5O6
MW: 511.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight511.6
XLogP33.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass511.24308379
Monoisotopic Mass511.24308379
Topological Polar Surface Area164 Ų
Heavy Atom Count37
Formal Charge0
Complexity813
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