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A-366

CAS No.:
1527503-11-2
Catalog Number:
AG0039W6
Molecular Formula:
C19H27N3O2
Molecular Weight:
329.4366
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$151
- +
10mg
≥98%
1 week
United States
$236
- +
50mg
98%
1 week
United States
$790
- +
Product Description
Catalog Number:
AG0039W6
Chemical Name:
A-366
CAS Number:
1527503-11-2
Molecular Formula:
C19H27N3O2
Molecular Weight:
329.4366
MDL Number:
MFCD28133403
IUPAC Name:
5'-methoxy-6'-(3-pyrrolidin-1-ylpropoxy)spiro[cyclobutane-1,3'-indole]-2'-amine
InChI:
InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
InChI Key:
BKCDJTRMYWSXMC-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OCCCN1CCCC1)N=C(C12CCC1)N
Properties
Complexity:
471  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.21g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
329.444g/mol
Monoisotopic Mass:
329.21g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
60.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Discovery and development of potent and selective inhibitors of histone methyltransferase g9a. ACS medicinal chemistry letters 20140213
Properties