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Srt3109

CAS No.:
1204707-71-0
Catalog Number:
AG008TJP
Molecular Formula:
C18H23F2N5O4S2
Molecular Weight:
475.5331
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$533
- +
Product Description
Catalog Number:
AG008TJP
Chemical Name:
Srt3109
CAS Number:
1204707-71-0
Molecular Formula:
C18H23F2N5O4S2
Molecular Weight:
475.5331
MDL Number:
MFCD20040518
IUPAC Name:
N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-[[(2R,3R)-3,4-dihydroxybutan-2-yl]amino]pyrimidin-4-yl]azetidine-1-sulfonamide
InChI:
InChI=1S/C18H23F2N5O4S2/c1-11(14(27)9-26)21-15-8-16(24-31(28,29)25-6-3-7-25)23-18(22-15)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,26-27H,3,6-7,9-10H2,1H3,(H2,21,22,23,24)/t11-,14+/m1/s1
InChI Key:
QVKPEMXUBULFBM-RISCZKNCSA-N
SMILES:
OC[C@@H]([C@H](Nc1nc(SCc2cccc(c2F)F)nc(c1)NS(=O)(=O)N1CCC1)C)O
Properties
Complexity:
670  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
475.116g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
475.53g/mol
Monoisotopic Mass:
475.116g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Studies on the chemistry of the octopus renal system and an observation on the symbiotic relationship of the dicyemid Mesozoa. Comparative biochemistry and physiology. A, Comparative physiology 19751201
Properties