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MI-136

CAS No.:
1628316-74-4
Catalog Number:
AG00ABSS
Molecular Formula:
C23H21F3N6S
Molecular Weight:
470.5132
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
98%
1 week
United States
$203
- +
10mg
98%
1 week
United States
$307
- +
25mg
≥98%
1 week
United States
$762
- +
50mg
98%
1 week
United States
$960
- +
100mg
98%
1 week
United States
$1619
- +
Product Description
Catalog Number:
AG00ABSS
Chemical Name:
MI-136
CAS Number:
1628316-74-4
Molecular Formula:
C23H21F3N6S
Molecular Weight:
470.5132
MDL Number:
MFCD28506294
IUPAC Name:
5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile
InChI:
InChI=1S/C23H21F3N6S/c24-23(25,26)10-18-9-19-21(28-13-29-22(19)33-18)31-16-3-5-32(6-4-16)12-14-1-2-20-15(7-14)8-17(11-27)30-20/h1-2,7-9,13,16,30H,3-6,10,12H2,(H,28,29,31)
InChI Key:
PSOJDGBGVBEYJX-UHFFFAOYSA-N
SMILES:
N#Cc1[nH]c2c(c1)cc(cc2)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F
Properties
Complexity:
721  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.15g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
470.518g/mol
Monoisotopic Mass:
470.15g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Properties