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AMPK-IN-3

CAT: 0607-BA4624-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4624-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2417674-27-0
Form
A solid
Molecular Formula
C25H33N5O3
Molecular Weight
451.56
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Ampk-IN-3
CAS Number2417674-27-0
PubChem CID162664520
IUPAC Name5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular FormulaC25H33N5O3
Molecular Weight451.6
XLogP1.6
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity750
SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)CCC(=O)N)NC2=O)C
InChI
InChI=1S/C25H33N5O3/c1-5-30(6-2)12-11-27-25(33)23-15(3)21(28-16(23)4)14-19-18-13-17(8-10-22(26)31)7-9-20(18)29-24(19)32/h7,9,13-14,28H,5-6,8,10-12H2,1-4H3,(H2,26,31)(H,27,33)(H,29,32)/b19-14-
InChIKey
IQUHNNUWFFXNMM-RGEXLXHISA-N
Chemical Structure
2D Structure
2D structure of Ampk-IN-3
CAS: 2417674-27-0
CID: 162664520
Formula: C25H33N5O3
MW: 451.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.6
XLogP31.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass451.25833993
Monoisotopic Mass451.25833993
Topological Polar Surface Area120 Ų
Heavy Atom Count33
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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