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ATH 686

CAT: 1410-M20993-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M20993-05Size:50 mg
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Description
ATH 686 is an potent and selective Inhibitor of FLT3.
CAS Number
853299-52-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
515.53
Molecular Formula
C25H28F3N7O2
Notes
Research use only, not for human use.
Receptor
FLT3

Chemical Information

1-(4-((2-Aminopyrimidin-4-yl)oxy)phenyl)-3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea
CAS Number853299-52-2
PubChem CID11477833
IUPAC Name1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
Molecular FormulaC25H28F3N7O2
Molecular Weight515.5
XLogP3.2
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity715
SMILES
CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC(=NC=C4)N)C(F)(F)F
InChI
InChI=1S/C25H28F3N7O2/c1-2-34-11-13-35(14-12-34)16-17-3-4-19(15-21(17)25(26,27)28)32-24(36)31-18-5-7-20(8-6-18)37-22-9-10-30-23(29)33-22/h3-10,15H,2,11-14,16H2,1H3,(H2,29,30,33)(H2,31,32,36)
InChIKey
VQQRBBFRJRBWPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-((2-Aminopyrimidin-4-yl)oxy)phenyl)-3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea
CAS: 853299-52-2
CID: 11477833
Formula: C25H28F3N7O2
MW: 515.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.5
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass515.22565765
Monoisotopic Mass515.22565765
Topological Polar Surface Area109 Ų
Heavy Atom Count37
Formal Charge0
Complexity715
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

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