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Nps-1034

CAS No.:
1221713-92-3
Catalog Number:
AG009VR3
Molecular Formula:
C31H23F2N5O3
Molecular Weight:
551.5428
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$97
- +
5mg
98%
1 week
United States
$173
- +
10mg
98%
1 week
United States
$223
- +
25mg
98%
1 week
United States
$407
- +
50mg
98%
1 week
United States
$640
- +
100mg
98%
1 week
United States
$873
- +
Product Description
Catalog Number:
AG009VR3
Chemical Name:
Nps-1034
CAS Number:
1221713-92-3
Molecular Formula:
C31H23F2N5O3
Molecular Weight:
551.5428
MDL Number:
MFCD29905447
IUPAC Name:
1-(4-fluorophenyl)-N-[3-fluoro-4-[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
InChI:
InChI=1S/C31H23F2N5O3/c1-18-27(31(40)38(37(18)2)22-11-8-20(32)9-12-22)30(39)36-21-10-13-25(24(33)16-21)41-26-14-15-34-29-28(26)23(17-35-29)19-6-4-3-5-7-19/h3-17H,1-2H3,(H,34,35)(H,36,39)
InChI Key:
RGAZVGZUBCFHRJ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1c(=O)c(c(n1C)C)C(=O)Nc1ccc(c(c1)F)Oc1ccnc2c1c(c[nH]2)c1ccccc1
Properties
Complexity:
998  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
551.177g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
551.554g/mol
Monoisotopic Mass:
551.177g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  
Literature
Title Journal
Micro-electrode measurement of the internal pH of crab muscle fibres. The Journal of physiology 19751101
Properties