Home Other Building Blocks Mtor-in-1

Mtor-in-1

CAS No.:
1207358-59-5
Catalog Number:
AG008TIE
Molecular Formula:
C25H30N8O2
Molecular Weight:
474.5581
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$335
- +
10mg
98%
1 week
United States
$446
- +
50mg
98%
1 week
United States
$1098
- +
100mg
98%
1 week
United States
$1932
- +
Product Description
Catalog Number:
AG008TIE
Chemical Name:
Mtor-in-1
CAS Number:
1207358-59-5
Molecular Formula:
C25H30N8O2
Molecular Weight:
474.5581
MDL Number:
MFCD25977126
IUPAC Name:
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]urea
InChI:
InChI=1S/C25H30N8O2/c1-3-26-25(34)29-19-7-5-18(6-8-19)22-30-21-15-32(24-27-10-4-11-28-24)12-9-20(21)23(31-22)33-13-14-35-16-17(33)2/h4-8,10-11,17H,3,9,12-16H2,1-2H3,(H2,26,29,34)/t17-/m0/s1
InChI Key:
WQBAZXIQANTUOY-KRWDZBQOSA-N
SMILES:
CCNC(=O)Nc1ccc(cc1)c1nc2CN(CCc2c(n1)N1CCOCC1C)c1ncccn1
Properties
Complexity:
684  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
474.249g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
474.569g/mol
Monoisotopic Mass:
474.249g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties