Products for Research Use Only

CHMFL-KIT-033

CAT: 1410-M26113-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M26113-02Size:2 mg
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Description
CHMFL-KIT-033 is a potent and selective inhibitor of the c-KIT T670I mutant (IC50: 0.045 μM) for gastrointestinal stromal tumors (GISTs) .
CAS Number
2351801-41-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
415.428
Molecular Formula
C23H18FN5O2
Notes
Research use only, not for human use.
Receptor
Reactive Oxygen Species

Chemical Information

Chmfl-kit-033
CAS Number2351801-41-5
PubChem CID138454794
IUPAC NameN-(3-fluorophenyl)-N'-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]propanediamide
Molecular FormulaC23H18FN5O2
Molecular Weight415.4
XLogP4.2
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity660
SMILES
C1=CC=NC(=C1)/C=C/C2=NNC3=C2C=CC(=C3)NC(=O)CC(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C23H18FN5O2/c24-15-4-3-6-17(12-15)26-22(30)14-23(31)27-18-7-9-19-20(28-29-21(19)13-18)10-8-16-5-1-2-11-25-16/h1-13H,14H2,(H,26,30)(H,27,31)(H,28,29)/b10-8+
InChIKey
OLZDZYHEIBZXCI-CSKARUKUSA-N
Chemical Structure
2D Structure
2D structure of Chmfl-kit-033
CAS: 2351801-41-5
CID: 138454794
Formula: C23H18FN5O2
MW: 415.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight415.4
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass415.14445300
Monoisotopic Mass415.14445300
Topological Polar Surface Area99.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity660
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes