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HDAC6-IN-13

CAT: 0607-BA4165-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4165-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2837128-41-1
Form
A solid
Molecular Formula
C23H22N4O
Molecular Weight
370.45
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Hdac6-IN-13
CAS Number2837128-41-1
PubChem CID165368935
IUPAC NameN'-ethyl-4-(pyrido[3,4-b][1]benzazepin-11-ylmethyl)benzohydrazide
Molecular FormulaC23H22N4O
Molecular Weight370.4
XLogP3.9
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity543
SMILES
CCNNC(=O)C1=CC=C(C=C1)CN2C3=CC=CC=C3C=CC4=C2C=NC=C4
InChI
InChI=1S/C23H22N4O/c1-2-25-26-23(28)20-9-7-17(8-10-20)16-27-21-6-4-3-5-18(21)11-12-19-13-14-24-15-22(19)27/h3-15,25H,2,16H2,1H3,(H,26,28)
InChIKey
ZNRZSMMDQXGEGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hdac6-IN-13
CAS: 2837128-41-1
CID: 165368935
Formula: C23H22N4O
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass370.17936134
Monoisotopic Mass370.17936134
Topological Polar Surface Area57.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity543
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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