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C-Fms-IN-6

CAT: 0931-T10645-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10645-01Size:25 mg
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CAS Number
1628574-81-1
Target
C-Fms
Related Pathways
Tyrosine Kinase/Adaptors
Bioactivity
C-Fms-IN-6 is a potent inhibitor of c-FMS (IC50 ≤10 nM for unphosphorylated c-FMS) and weakly inhibits unphosphorylated c-KIT and PDGFR (IC50: >1 μM) .
Smiles
O=C1N(N=C(C(C)(C)C)N1)C=2N=C(C)C(OC=3C=C(N=CC3)C4=CN(CC)N=C4)=CC2
Molecular Formula
C22H25N7O2
Molecular Weight
419.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

c-Fms-IN-6
CAS Number1628574-81-1
PubChem CID136387335
IUPAC Name5-tert-butyl-2-[5-[[2-(1-ethylpyrazol-4-yl)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-4H-1,2,4-triazol-3-one
Molecular FormulaC22H25N7O2
Molecular Weight419.5
XLogP2.7
Topological Polar Surface Area97.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity679
SMILES
CCN1C=C(C=N1)C2=NC=CC(=C2)OC3=C(N=C(C=C3)N4C(=O)NC(=N4)C(C)(C)C)C
InChI
InChI=1S/C22H25N7O2/c1-6-28-13-15(12-24-28)17-11-16(9-10-23-17)31-18-7-8-19(25-14(18)2)29-21(30)26-20(27-29)22(3,4)5/h7-13H,6H2,1-5H3,(H,26,27,30)
InChIKey
NWTRDIYLEGZNSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of c-Fms-IN-6
CAS: 1628574-81-1
CID: 136387335
Formula: C22H25N7O2
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass419.20697307
Monoisotopic Mass419.20697307
Topological Polar Surface Area97.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes