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Ha 130

CAS No.:
1229652-21-4
Catalog Number:
AG009CI9
Molecular Formula:
C24H19BFNO5S
Molecular Weight:
463.2858
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$137
- +
10mg
≥98%
1 week
United States
$201
- +
25mg
≥98%
1 week
United States
$258
- +
Product Description
Catalog Number:
AG009CI9
Chemical Name:
Ha 130
CAS Number:
1229652-21-4
Molecular Formula:
C24H19BFNO5S
Molecular Weight:
463.2858
MDL Number:
MFCD20926343
IUPAC Name:
[3-[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]methyl]phenyl]boronic acid
InChI:
InChI=1S/C24H19BFNO5S/c26-20-8-4-17(5-9-20)14-27-23(28)22(33-24(27)29)13-16-6-10-21(11-7-16)32-15-18-2-1-3-19(12-18)25(30)31/h1-13,30-31H,14-15H2/b22-13-
InChI Key:
VTNKMYWFWQTEHE-XKZIYDEJSA-N
SMILES:
Fc1ccc(cc1)CN1C(=O)S/C(=C\c2ccc(cc2)OCc2cccc(c2)B(O)O)/C1=O
Properties
Complexity:
722  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
463.106g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
463.286g/mol
Monoisotopic Mass:
463.106g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Discovery and optimization of boronic acid based inhibitors of autotaxin. Journal of medicinal chemistry 20100708
Properties