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ML224

CAT: 0957-E7781-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E7781-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1338824-21-7
Synonyms
NCGC00242364, ANTAG3
Additionnal Information
ML224 (NCGC00242364) is a selective TSHR antagonist with an IC50 value of 2.1 μM. ML224 can be used in the study of Graves' disease and other thyroid disorders.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

N-[4-[[5-[3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide

N-[4-[[5-[3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide is a member of quinazolines.

CAS Number1338824-21-7
PubChem CID50897809
IUPAC NameN-[4-[[5-[3-(furan-2-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide
Molecular FormulaC31H31N3O5
Molecular Weight525.6
XLogP4.7
Topological Polar Surface Area93
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity829
SMILES
CC1=CC(=CC(=C1OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)OC)C)NC(=O)C
InChI
InChI=1S/C31H31N3O5/c1-19-14-24(32-21(3)35)15-20(2)29(19)39-18-23-16-22(11-12-28(23)37-4)30-33-27-10-6-5-9-26(27)31(36)34(30)17-25-8-7-13-38-25/h5-16,30,33H,17-18H2,1-4H3,(H,32,35)
InChIKey
BFTSWGYWHRJVNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[[5-[3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide
CAS: 1338824-21-7
CID: 50897809
Formula: C31H31N3O5
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass525.22637110
Monoisotopic Mass525.22637110
Topological Polar Surface Area93 Ų
Heavy Atom Count39
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-12381-01ML224
A21633-10ML224 10mg
A21633-5ML224 5mg
A21633-1ML224 1mg
A21633-100ML224 100mg
A21633-50ML224 50mg
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