Home Carboxys 7-(5-((4-(4-(N,N-Dimethylsulfamoyl)piperazin-1-yl)phenoxy)methyl)-1,3-dimethyl-1h-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1h-indole-2-carboxylic acid

7-(5-((4-(4-(N,N-Dimethylsulfamoyl)piperazin-1-yl)phenoxy)methyl)-1,3-dimethyl-1h-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1h-indole-2-carboxylic acid

CAS No.:
1668553-26-1
Catalog Number:
AG0039W3
Molecular Formula:
C46H55N7O7S
Molecular Weight:
850.0366
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$98
- +
5mg
98%
1 week
United States
$157
- +
10mg
98%
1 week
United States
$240
- +
50mg
98%
1 week
United States
$723
- +
100mg
98%
1 week
United States
$1140
- +
Product Description
Catalog Number:
AG0039W3
Chemical Name:
7-(5-((4-(4-(N,N-Dimethylsulfamoyl)piperazin-1-yl)phenoxy)methyl)-1,3-dimethyl-1h-pyrazol-4-yl)-1-(2-morpholinoethyl)-3-(3-(naphthalen-1-yloxy)propyl)-1h-indole-2-carboxylic acid
CAS Number:
1668553-26-1
Molecular Formula:
C46H55N7O7S
Molecular Weight:
850.0366
MDL Number:
MFCD28399118
IUPAC Name:
7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethylpyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
InChI:
InChI=1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-30-58-31-28-50/h5-8,10-14,16-20H,9,15,21-32H2,1-4H3,(H,54,55)
InChI Key:
XMVAWGSQPHFXKU-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1c1cccc2c1n(CCN1CCOCC1)c(c2CCCOc1cccc2c1cccc2)C(=O)O)COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)N(C)C)C
Properties
Complexity:
1500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
849.388g/mol
Formal Charge:
0
Heavy Atom Count:
61  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
850.048g/mol
Monoisotopic Mass:
849.388g/mol
Rotatable Bond Count:
16  
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties