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IWP 4

CAS No.:
686772-17-8
Catalog Number:
AG00FHMD
Molecular Formula:
C23H20N4O3S3
Molecular Weight:
496.6249
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$96
- +
5mg
98%
1 week
United States
$216
- +
10mg
98%
1 week
United States
$307
- +
25mg
98%
1 week
United States
$640
- +
50mg
98%
1 week
United States
$1098
- +
100mg
98%
1 week
United States
$1932
- +
Product Description
Catalog Number:
AG00FHMD
Chemical Name:
IWP 4
CAS Number:
686772-17-8
Molecular Formula:
C23H20N4O3S3
Molecular Weight:
496.6249
MDL Number:
MFCD04457754
IUPAC Name:
2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
InChI:
InChI=1S/C23H20N4O3S3/c1-13-7-8-14-18(11-13)33-22(24-14)26-19(28)12-32-23-25-15-9-10-31-20(15)21(29)27(23)16-5-3-4-6-17(16)30-2/h3-8,11H,9-10,12H2,1-2H3,(H,24,26,28)
InChI Key:
RHUJMHOIQBDFQR-UHFFFAOYSA-N
SMILES:
COc1ccccc1n1c(SCC(=O)Nc2nc3c(s2)cc(cc3)C)nc2c(c1=O)SCC2
Properties
Complexity:
851  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.07g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
496.618g/mol
Monoisotopic Mass:
496.07g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8  
Properties