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Tc-s 7010

CAS No.:
1158838-45-9
Catalog Number:
AG000H18
Molecular Formula:
C31H31ClFN7O2
Molecular Weight:
588.0749
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
98%
1 week
United States
$173
- +
10mg
98%
1 week
United States
$257
- +
50mg
98%
1 week
United States
$707
- +
100mg
98%
1 week
United States
$1257
- +
Product Description
Catalog Number:
AG000H18
Chemical Name:
Tc-s 7010
CAS Number:
1158838-45-9
Molecular Formula:
C31H31ClFN7O2
Molecular Weight:
588.0749
MDL Number:
MFCD16495816
IUPAC Name:
N-(2-chlorophenyl)-4-[[2-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-5-fluoropyrimidin-4-yl]amino]benzamide
InChI:
InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)
InChI Key:
AKSIZPIFQAYJGF-UHFFFAOYSA-N
SMILES:
CCN1CCN(CC1)C(=O)Cc1ccc(cc1)Nc1ncc(c(n1)Nc1ccc(cc1)C(=O)Nc1ccccc1Cl)F
Properties
Complexity:
862  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
587.221g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
588.084g/mol
Monoisotopic Mass:
587.221g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
Literature
Title Journal
A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. Journal of medicinal chemistry 20090528
Properties