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Mivebresib

CAS No.:
1445993-26-9
Catalog Number:
AG001JTE
Molecular Formula:
C22H19F2N3O4S
Molecular Weight:
459.4658
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$123
- +
2mg
99%
1 week
United States
$190
- +
5mg
99%
1 week
United States
$223
- +
10mg
99%
1 week
United States
$307
- +
25mg
99%
1 week
United States
$473
- +
50mg
99%
1 week
United States
$807
- +
100mg
99%
1 week
United States
$1307
- +
Product Description
Catalog Number:
AG001JTE
Chemical Name:
Mivebresib
CAS Number:
1445993-26-9
Molecular Formula:
C22H19F2N3O4S
Molecular Weight:
459.4658
MDL Number:
MFCD30377200
IUPAC Name:
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
InChI:
InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
InChI Key:
RDONXGFGWSSFMY-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)Nc1ccc(c(c1)c1cn(C)c(=O)c2c1cc[nH]2)Oc1ccc(cc1F)F
UNII:
VR86R11J7J
Properties
Complexity:
834  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.106g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
459.468g/mol
Monoisotopic Mass:
459.106g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Discovery of N-(4-(2,4-Difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl)ethanesulfonamide (ABBV-075/Mivebresib), a Potent and Orally Available Bromodomain and Extraterminal Domain (BET) Family Bromodomain Inhibitor. Journal of medicinal chemistry 20171026
Properties