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PCSK9-IN-13

CAT: 0607-BA8069-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8069-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2244129-23-3
Form
A solid
Molecular Formula
C30H33N5O2
Molecular Weight
495.62
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Pcsk9-IN-13
CAS Number2244129-23-3
PubChem CID135331297
IUPAC NameN-[3-[[(3S)-3-aminopiperidin-1-yl]methyl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide
Molecular FormulaC30H33N5O2
Molecular Weight495.6
XLogP4.3
Topological Polar Surface Area85.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity731
SMILES
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)CN3CCC[C@@H](C3)N)N4C=C(N=C4)C)OC5=CC=CC=C5
InChI
InChI=1S/C30H33N5O2/c1-21-10-11-24(15-29(21)37-28-8-4-3-5-9-28)30(36)33-26-13-23(18-34-12-6-7-25(31)19-34)14-27(16-26)35-17-22(2)32-20-35/h3-5,8-11,13-17,20,25H,6-7,12,18-19,31H2,1-2H3,(H,33,36)/t25-/m0/s1
InChIKey
SUNSLACFIOGRFF-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Pcsk9-IN-13
CAS: 2244129-23-3
CID: 135331297
Formula: C30H33N5O2
MW: 495.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.6
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass495.26342531
Monoisotopic Mass495.26342531
Topological Polar Surface Area85.4 Ų
Heavy Atom Count37
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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