Home Other Building Blocks Actb-1003

Actb-1003

CAS No.:
939805-30-8
Catalog Number:
AG00GU0O
Molecular Formula:
C27H26F5N7O3
Molecular Weight:
591.5325
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
2mg
97%
1 week
United States
$290
- +
5mg
97%
1 week
United States
$407
- +
10mg
97%
1 week
United States
$640
- +
50mg
97%
1 week
United States
$1640
- +
100mg
97%
1 week
United States
$2557
- +
Product Description
Catalog Number:
AG00GU0O
Chemical Name:
Actb-1003
CAS Number:
939805-30-8
Molecular Formula:
C27H26F5N7O3
Molecular Weight:
591.5325
MDL Number:
MFCD25976782
IUPAC Name:
1-[4-[4-amino-6-(methoxymethyl)-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
InChI:
InChI=1S/C27H26F5N7O3/c1-41-13-17-22(12-38-6-8-42-9-7-38)39-24(25(33)34-14-35-39)23(17)15-2-5-20(19(29)10-15)36-26(40)37-21-11-16(27(30,31)32)3-4-18(21)28/h2-5,10-11,14H,6-9,12-13H2,1H3,(H2,33,34,35)(H2,36,37,40)
InChI Key:
GZPJCJKUZPUFAL-UHFFFAOYSA-N
SMILES:
COCc1c(c2ccc(c(c2)F)NC(=O)Nc2cc(ccc2F)C(F)(F)F)c2n(c1CN1CCOCC1)ncnc2N
UNII:
44750KD9OE
Properties
Complexity:
901  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
591.202g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
591.543g/mol
Monoisotopic Mass:
591.202g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties