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HDAC6/HSP90-IN-1

CAT: 0013-GTR19185116-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185116-01Size:25 mg
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Description
HDAC6/HSP90-IN-1
CAS Number
2411955-43-4
Field of Research
Epigenetics & Chromatin, Metabolism Research, Molecular Biology, Signal Transduction
Smiles
C (=O) (N1CC=2C (C1) =CC (NC (CCCCCCCCC (NO) =O) =O) =CC2) C3=CC (C (C) C) =C (O) C=C3O
Molecular Formula
C28H37N3O6
Molecular Weight
511.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hdac6/hsp90-IN-1
CAS Number2411955-43-4
PubChem CID162669327
IUPAC NameN-[2-(2,4-dihydroxy-5-propan-2-ylbenzoyl)-1,3-dihydroisoindol-5-yl]-N'-hydroxydecanediamide
Molecular FormulaC28H37N3O6
Molecular Weight511.6
XLogP4.2
Topological Polar Surface Area139
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity762
SMILES
CC(C)C1=CC(=C(C=C1O)O)C(=O)N2CC3=C(C2)C=C(C=C3)NC(=O)CCCCCCCCC(=O)NO
InChI
InChI=1S/C28H37N3O6/c1-18(2)22-14-23(25(33)15-24(22)32)28(36)31-16-19-11-12-21(13-20(19)17-31)29-26(34)9-7-5-3-4-6-8-10-27(35)30-37/h11-15,18,32-33,37H,3-10,16-17H2,1-2H3,(H,29,34)(H,30,35)
InChIKey
HBNSYDADLFRPNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac6/hsp90-IN-1
CAS: 2411955-43-4
CID: 162669327
Formula: C28H37N3O6
MW: 511.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.6
XLogP34.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass511.26823591
Monoisotopic Mass511.26823591
Topological Polar Surface Area139 Ų
Heavy Atom Count37
Formal Charge0
Complexity762
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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