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Tepp-46

CAS No.:
1221186-53-3
Catalog Number:
AG009BP9
Molecular Formula:
C17H16N4O2S2
Molecular Weight:
372.4645
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$108
- +
5mg
≥95%
1 week
United States
$198
- +
10mg
≥95%
1 week
United States
$289
- +
25mg
≥95%
1 week
United States
$507
- +
50mg
99%
1 week
United States
$807
- +
100mg
99%
1 week
United States
$1140
- +
Product Description
Catalog Number:
AG009BP9
Chemical Name:
Tepp-46
CAS Number:
1221186-53-3
Molecular Formula:
C17H16N4O2S2
Molecular Weight:
372.4645
MDL Number:
MFCD23160747
IUPAC Name:
10-[(3-aminophenyl)methyl]-7-methyl-4-methylsulfinyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
InChI:
InChI=1S/C17H16N4O2S2/c1-20-13-7-14(25(2)23)24-16(13)12-8-19-21(17(22)15(12)20)9-10-4-3-5-11(18)6-10/h3-8H,9,18H2,1-2H3
InChI Key:
ZWKJWVSEDISQIS-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cn1ncc2c(c1=O)n(C)c1c2sc(c1)S(=O)C
Properties
Complexity:
601  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.071g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
372.461g/mol
Monoisotopic Mass:
372.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Evaluation of thieno[3,2-b]pyrrole[3,2-d]pyridazinones as activators of the tumor cell specific M2 isoform of pyruvate kinase. Bioorganic & medicinal chemistry letters 20100601
Barbiturates block calcium uptake by stimulated and potassium-depolarized rat sympathetic ganglia. The Journal of pharmacology and experimental therapeutics 19760101
Properties