Home Fluorides 1160247-92-6
1160247-92-6,MFCD16618396
Catalog No.:AA000BCB
1160247-92-6 | 1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-
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5mg
98%
in stock  
$139.00   $97.00
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10mg
98%
in stock  
$188.00   $132.00
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25mg
98%
in stock  
$362.00   $253.00
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50mg
98%
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$624.00   $437.00
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA000BCB
Chemical Name:
1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-
CAS Number:
1160247-92-6
Molecular Formula:
C17H12F3NO4
Molecular Weight:
351.2767
MDL Number:
MFCD16618396
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
InChI:
InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
InChI Key:
CKLGZXFOLMHCMC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
517  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.072g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.281g/mol
Monoisotopic Mass:
351.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione 
CID 42633508 
VU-0238429 
1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione 
1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione 
GTPL3257 
CTK8E8884 
DTXSID40655290 
cid_42633508 
HMS3678C19 
ML129 
BDBM50258656 
CID-42633508 
MFCD16618396 
ZINC40875741 
AKOS024457724 
API0008325 
HY-12157 
RT-017613 
B7448 
CS-0003122 
VU0238429-1 
VU0238429, solubility: >=20 mg/mL in DMSO 
ML129 compound 
J-003368 
1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)- 
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione 
D03DKZ 
VU0238429 
VU 0238429 
1160247-92-6 
VU0238429 
1-(4-METHOXYBENZYL)-5-TRIFLUOROMETHOXYISATIN 
CHEMBL466253 
Literature

Title: Discovery of the first highly M5-preferring muscarinic acetylcholine receptor ligand, an M5 positive allosteric modulator derived from a series of 5-trifluoromethoxy N-benzyl isatins.

Journal: Journal of medicinal chemistry 20090611

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