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Ly3039478

CAS No.:
1421438-81-4
Catalog Number:
AG001HUJ
Molecular Formula:
C22H23F3N4O4
Molecular Weight:
464.4376
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
98%
1 week
United States
$190
- +
5mg
98%
1 week
United States
$290
- +
10mg
98%
1 week
United States
$423
- +
25mg
98%
1 week
United States
$790
- +
50mg
98%
1 week
United States
$1223
- +
100mg
98%
1 week
United States
$1890
- +
Product Description
Catalog Number:
AG001HUJ
Chemical Name:
Ly3039478
CAS Number:
1421438-81-4
Molecular Formula:
C22H23F3N4O4
Molecular Weight:
464.4376
MDL Number:
MFCD26142650
IUPAC Name:
4,4,4-trifluoro-N-[(2S)-1-[[(7S)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxopropan-2-yl]butanamide
InChI:
InChI=1S/C22H23F3N4O4/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32)/t13-,18-/m0/s1
InChI Key:
YCBAQKQAINQRFW-UGSOOPFHSA-N
SMILES:
OCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(F)(F)F)C)c2c(c3c1nccc3)cccc2
UNII:
923X28214S
Properties
Complexity:
720  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
464.167g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
464.445g/mol
Monoisotopic Mass:
464.167g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties