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AM-643 Free Acid

CAT: 0013-GTR19195668-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195668-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AM-643 Free Acid is a bioactive small molecule compound utilized in biochemical research. It serves as a tool compound for in vitro and in vivo studies investigating molecular pathways in areas such as neuroscience and pharmacology.
CAS Number
1233114-22-1
Smiles
O=C (O) C (C) (C) CC1=C (SC (C) (C) C) C=2C=C (OCC3=NC=C (C=C3) C) C=CC2N1CC=4C=CC (=CC4) C5=NC=C (OC) C=N5
Molecular Formula
C36H40N4O4S
Molecular Weight
624.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AM-643 free acid
CAS Number1233114-22-1
PubChem CID46235580
IUPAC Name3-[3-tert-butylsulfanyl-1-[[4-(5-methoxypyrimidin-2-yl)phenyl]methyl]-5-[(5-methyl-2-pyridinyl)methoxy]indol-2-yl]-2,2-dimethylpropanoic acid
Molecular FormulaC36H40N4O4S
Molecular Weight624.8
XLogP6.5
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count45
Formal Charge0
Complexity946
SMILES
CC1=CN=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3SC(C)(C)C)CC(C)(C)C(=O)O)CC4=CC=C(C=C4)C5=NC=C(C=N5)OC
InChI
InChI=1S/C36H40N4O4S/c1-23-8-13-26(37-18-23)22-44-27-14-15-30-29(16-27)32(45-35(2,3)4)31(17-36(5,6)34(41)42)40(30)21-24-9-11-25(12-10-24)33-38-19-28(43-7)20-39-33/h8-16,18-20H,17,21-22H2,1-7H3,(H,41,42)
InChIKey
XIPYFDKZPWWWGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AM-643 free acid
CAS: 1233114-22-1
CID: 46235580
Formula: C36H40N4O4S
MW: 624.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight624.8
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass624.27702694
Monoisotopic Mass624.27702694
Topological Polar Surface Area125 Ų
Heavy Atom Count45
Formal Charge0
Complexity946
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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