Home Other Building Blocks VTP-27999 Trifluoroacetate

VTP-27999 Trifluoroacetate

CAS No.:
1013937-63-7
Catalog Number:
AG008TKK
Molecular Formula:
C28H42ClF3N4O7
Molecular Weight:
639.1039
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
97%
1 week
United States
$1298
- +
50mg
97%
1 week
United States
$2140
- +
100mg
97%
1 week
United States
$3057
- +
Product Description
Catalog Number:
AG008TKK
Chemical Name:
VTP-27999 Trifluoroacetate
CAS Number:
1013937-63-7
Molecular Formula:
C28H42ClF3N4O7
Molecular Weight:
639.1039
MDL Number:
MFCD20278230
IUPAC Name:
methyl N-[2-[(3-chlorophenyl)-[(3R)-1-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C26H41ClN4O5.C2HF3O2/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2;3-2(4,5)1(6)7/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32);(H,6,7)/t19-,21-,23+,24?;/m1./s1
InChI Key:
SYWYSVAEGXHOJO-WHTVDMENSA-N
SMILES:
OC(=O)C(F)(F)F.CNC(CC1CCCOC1)CNC(=O)N1CCCC(C1)C(c1cccc(c1)Cl)OCCNC(=O)OC
Properties
Complexity:
756  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
638.269g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
639.11g/mol
Monoisotopic Mass:
638.269g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties