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CFI-400936

CAT: 0013-GTR19208455-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208455-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CFI-400936 is a highly potent and selective TTK/MPS1 kinase inhibitor (IC50 = 3.6 nM) . It exhibits anticancer activity in cellular assays and is used in research exploring aneuploidy, in vitro proliferation studies, and in vivo xenograft models of various cancers.
CAS Number
1338793-07-9
Field of Research
Immunology & Inflammation, Signal Transduction
Smiles
N (C (C (N (C) C) C1=C (CC) C=CC=C1) =O) C=2C=C3C (=NNC3=CC2) C4=CC (S (N) (=O) =O) =CC=C4
Molecular Formula
C25H27N5O3S
Molecular Weight
477.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(dimethylamino)-2-(2-ethylphenyl)-N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)acetamide

a TTK kinase inhibitor; structure in first source

CAS Number1338793-07-9
PubChem CID101903000
IUPAC Name2-(dimethylamino)-2-(2-ethylphenyl)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
Molecular FormulaC25H27N5O3S
Molecular Weight477.6
XLogP3.5
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity801
SMILES
CCC1=CC=CC=C1C(C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC(=CC=C4)S(=O)(=O)N)N(C)C
InChI
InChI=1S/C25H27N5O3S/c1-4-16-8-5-6-11-20(16)24(30(2)3)25(31)27-18-12-13-22-21(15-18)23(29-28-22)17-9-7-10-19(14-17)34(26,32)33/h5-15,24H,4H2,1-3H3,(H,27,31)(H,28,29)(H2,26,32,33)
InChIKey
JAHXQCZCZURPTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(dimethylamino)-2-(2-ethylphenyl)-N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)acetamide
CAS: 1338793-07-9
CID: 101903000
Formula: C25H27N5O3S
MW: 477.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight477.6
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass477.18346091
Monoisotopic Mass477.18346091
Topological Polar Surface Area130 Ų
Heavy Atom Count34
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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