Home Carbonyls Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5-[[(4S)-4-hydroxy-4-methyl-2-isoxazolidinyl]carbonyl]-3-methyl-1-(1-methylethyl)-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-

Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5-[[(4S)-4-hydroxy-4-methyl-2-isoxazolidinyl]carbonyl]-3-methyl-1-(1-methylethyl)-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-

CAS No.:
1448671-31-5
Catalog Number:
AG001K91
Molecular Formula:
C21H24F3N5O5S
Molecular Weight:
515.5060
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$110
- +
5mg
99%
1 week
United States
$257
- +
10mg
99%
1 week
United States
$307
- +
25mg
≥95%
1 week
United States
$519
- +
50mg
99%
1 week
United States
$807
- +
100mg
99%
1 week
United States
$1307
- +
Product Description
Catalog Number:
AG001K91
Chemical Name:
Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5-[[(4S)-4-hydroxy-4-methyl-2-isoxazolidinyl]carbonyl]-3-methyl-1-(1-methylethyl)-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-
CAS Number:
1448671-31-5
Molecular Formula:
C21H24F3N5O5S
Molecular Weight:
515.5060
MDL Number:
MFCD28963899
IUPAC Name:
5-[(4S)-4-hydroxy-4-methyl-1,2-oxazolidine-2-carbonyl]-3-methyl-6-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]-1-propan-2-ylthieno[2,3-d]pyrimidine-2,4-dione
InChI:
InChI=1S/C21H24F3N5O5S/c1-9(2)29-18-14(16(30)27(5)19(29)32)13(17(31)28-7-20(4,33)8-34-28)12(35-18)6-11-10(3)25-26-15(11)21(22,23)24/h9,33H,6-8H2,1-5H3,(H,25,26)/t20-/m0/s1
InChI Key:
PRNXOFBDXNTIFG-FQEVSTJZSA-N
SMILES:
O=C(c1c(Cc2c(C)[nH]nc2C(F)(F)F)sc2c1c(=O)n(c(=O)n2C(C)C)C)N1OC[C@@](C1)(C)O
UNII:
39OM5Y4K2F
Properties
Complexity:
894  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
515.145g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
515.508g/mol
Monoisotopic Mass:
515.145g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Detection of Chemical Engagement of Solute Carrier Proteins by a Cellular Thermal Shift Assay. ACS chemical biology 20180615
Properties