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A-395

CAS No.:
2089148-72-9
Catalog Number:
AG01EO2M
Molecular Formula:
C26H35FN4O2S
Molecular Weight:
486.6451
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$210
- +
10mg
99%
1 week
United States
$321
- +
25mg
99%
1 week
United States
$682
- +
Product Description
Catalog Number:
AG01EO2M
Chemical Name:
A-395
CAS Number:
2089148-72-9
Molecular Formula:
C26H35FN4O2S
Molecular Weight:
486.6451
MDL Number:
MFCD31563589
IUPAC Name:
(3R,4S)-1-(7-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N-dimethyl-4-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]pyrrolidin-3-amine
InChI:
InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1
InChI Key:
REVJNSVNICWODC-KIDMSAQOSA-N
SMILES:
CN([C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(=O)(=O)C)C1CCc2c1c(F)ccc2)C
Properties
Complexity:
789  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
486.246g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.65g/mol
Monoisotopic Mass:
486.246g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex. Nature chemical biology 20170401
Properties