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FIIN-2

CAS No.:
1633044-56-0
Catalog Number:
AG00ABPP
Molecular Formula:
C35H38N8O4
Molecular Weight:
634.7274
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
99%
1 week
United States
$226
- +
10mg
99%
1 week
United States
$323
- +
25mg
99%
1 week
United States
$590
- +
50mg
99%
1 week
United States
$973
- +
Product Description
Catalog Number:
AG00ABPP
Chemical Name:
FIIN-2
CAS Number:
1633044-56-0
Molecular Formula:
C35H38N8O4
Molecular Weight:
634.7274
MDL Number:
MFCD28386553
IUPAC Name:
N-[4-[[3-(3,5-dimethoxyphenyl)-7-[4-(4-methylpiperazin-1-yl)anilino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]methyl]phenyl]prop-2-enamide
InChI:
InChI=1S/C35H38N8O4/c1-5-32(44)37-26-8-6-24(7-9-26)22-43-33-25(23-42(35(43)45)29-18-30(46-3)20-31(19-29)47-4)21-36-34(39-33)38-27-10-12-28(13-11-27)41-16-14-40(2)15-17-41/h5-13,18-21H,1,14-17,22-23H2,2-4H3,(H,37,44)(H,36,38,39)
InChI Key:
DVBPRWJMHURKHP-UHFFFAOYSA-N
SMILES:
C=CC(=O)Nc1ccc(cc1)CN1c2nc(ncc2CN(C1=O)c1cc(OC)cc(c1)OC)Nc1ccc(cc1)N1CCN(CC1)C
Properties
Complexity:
1030  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
634.302g/mol
Formal Charge:
0
Heavy Atom Count:
47  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
634.741g/mol
Monoisotopic Mass:
634.302g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties