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C-Fms-IN-9

CAT: 0931-T10648-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10648-01Size:25 mg
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CAS Number
1628574-50-4
Target
C-Fms
Related Pathways
Tyrosine Kinase/Adaptors
Bioactivity
C-Fms-IN-9 is a c-FMS inhibitor that inhibits unphosphorylated c-FMS kinase (uFMS) and uKIT with IC50 values of <0.01 μM and 0.1-1 μM, respectively.
Smiles
O=C1N(N=C(C(C)(C)C)N1)C=2N=C(C)C(OC=3C=C(N=CC3)C=4C=NN(C)C4)=CC2
Molecular Formula
C21H23N7O2
Molecular Weight
405.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

c-Fms-IN-9
CAS Number1628574-50-4
PubChem CID136297934
IUPAC Name5-tert-butyl-2-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-4H-1,2,4-triazol-3-one
Molecular FormulaC21H23N7O2
Molecular Weight405.5
XLogP2.4
Topological Polar Surface Area97.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity664
SMILES
CC1=C(C=CC(=N1)N2C(=O)NC(=N2)C(C)(C)C)OC3=CC(=NC=C3)C4=CN(N=C4)C
InChI
InChI=1S/C21H23N7O2/c1-13-17(30-15-8-9-22-16(10-15)14-11-23-27(5)12-14)6-7-18(24-13)28-20(29)25-19(26-28)21(2,3)4/h6-12H,1-5H3,(H,25,26,29)
InChIKey
DKZTVZFTPXVEJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of c-Fms-IN-9
CAS: 1628574-50-4
CID: 136297934
Formula: C21H23N7O2
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass405.19132300
Monoisotopic Mass405.19132300
Topological Polar Surface Area97.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity664
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