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AC55541

CAS No.:
916170-19-9
Catalog Number:
AG00GTBW
Molecular Formula:
C25H20BrN5O3
Molecular Weight:
518.3620
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
99%
1 week
United States
$190
- +
10mg
99%
1 week
United States
$290
- +
25mg
≥98%
1 week
United States
$604
- +
50mg
99%
1 week
United States
$1057
- +
Product Description
Catalog Number:
AG00GTBW
Chemical Name:
AC55541
CAS Number:
916170-19-9
Molecular Formula:
C25H20BrN5O3
Molecular Weight:
518.3620
MDL Number:
MFCD00327460
IUPAC Name:
N-[2-[(2E)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
InChI:
InChI=1S/C25H20BrN5O3/c1-15(17-10-7-11-18(26)14-17)28-31-25(34)22(27-23(32)16-8-3-2-4-9-16)21-19-12-5-6-13-20(19)24(33)30-29-21/h2-14,22H,1H3,(H,27,32)(H,30,33)(H,31,34)/b28-15+
InChI Key:
UCUHFWIFSHROPY-RWPZCVJISA-N
SMILES:
Brc1cccc(c1)/C(=N/NC(=O)C(c1n[nH]c(=O)c2c1cccc2)NC(=O)c1ccccc1)/C
Properties
Complexity:
838  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
517.075g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
518.371g/mol
Monoisotopic Mass:
517.075g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Discovery of potent and selective small-molecule PAR-2 agonists. Journal of medicinal chemistry 20080925
Arginine decarboxylase from Lathyrus sativus seedlings. Purification and properites. European journal of biochemistry 19751115
Properties