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CI-976

CAT: 1410-M10507-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M10507-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CI-976 (PD 128042) is a potent, selective, orally bioavailable inhibitor of ACAT-1 (Acetyl-CoA acetyltransferase 1) with IC50 of 73 nM.
CAS Number
114289-47-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
393.568
Molecular Formula
C23H39NO4
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide

2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide is an anilide.

CAS Number114289-47-3
PubChem CID122327
IUPAC Name2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
Molecular FormulaC23H39NO4
Molecular Weight393.6
XLogP7.1
Topological Polar Surface Area56.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Heavy Atom Count28
Formal Charge0
Complexity413
SMILES
CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC
InChI
InChI=1S/C23H39NO4/c1-7-8-9-10-11-12-13-14-15-23(2,3)22(25)24-21-19(27-5)16-18(26-4)17-20(21)28-6/h16-17H,7-15H2,1-6H3,(H,24,25)
InChIKey
WAFNZAURAWBNDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide
CAS: 114289-47-3
CID: 122327
Formula: C23H39NO4
MW: 393.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.6
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count14
Exact Mass393.28790873
Monoisotopic Mass393.28790873
Topological Polar Surface Area56.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity413
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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Alternative Products

CatalogName
B6987-25CI 976
444534-01CI-976
A16370-5CI 976 5mg
A16370-25CI 976 25mg
A16370-2CI 976 2mg
A16370-1CI 976 1mg
A16370-100CI 976 100mg
A16370-50CI 976 50mg
A16370-10CI 976 10mg
A16370-10mM-DCI 976 10mM * 1mL in DMSO

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