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PLX647

CAT: 0013-GTR19160931-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160931-01Size:200 mg
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Description
PLX647 is a highly specific dual FMS/KIT kinase inhibitor with IC50 of 28/16 nM respectively.
CAS Number
873786-09-5
Product Name Alternative
PLX647 | PLX 647 | PLX-647.
Purity
>98% (HPLC)
Solubility
DMSO: 20 mg/mL
Smiles
FC (C1=CC=C (C=C1) CNC2=NC=C (CC3=CNC4=NC=CC=C43) C=C2) (F) F
Molecular Formula
C21H17F3N4
Molecular Weight
382.38
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
5- ((1H-pyrrolo[2,3-b]pyridin-3-yl) methyl) -N- (4- (trifluoromethyl) benzyl) pyridin-2-amine

Chemical Information

5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine

a dual FMS and KIT kinase inhibitor; structure in first source

CAS Number873786-09-5
PubChem CID11545419
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
Molecular FormulaC21H17F3N4
Molecular Weight382.4
XLogP4.9
Topological Polar Surface Area53.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity493
SMILES
C1=CC2=C(NC=C2CC3=CN=C(C=C3)NCC4=CC=C(C=C4)C(F)(F)F)N=C1
InChI
InChI=1S/C21H17F3N4/c22-21(23,24)17-6-3-14(4-7-17)11-26-19-8-5-15(12-27-19)10-16-13-28-20-18(16)2-1-9-25-20/h1-9,12-13H,10-11H2,(H,25,28)(H,26,27)
InChIKey
NODCQQSEMCESEC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CAS: 873786-09-5
CID: 11545419
Formula: C21H17F3N4
MW: 382.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.4
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass382.14053105
Monoisotopic Mass382.14053105
Topological Polar Surface Area53.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity493
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

Alternative Products

CatalogName
MBS577686PLX647
T68337-01PLX647 (OMe)
A15519-25PLX647 25mg
HY-13838APLX647 (dihydrochloride)
A15519-50PLX647 50mg
A15519-10PLX647 10mg
A15519-5PLX647 5mg
T39194PLX647 dihydrochloride
A15519-200PLX647 200mg
A15519-100PLX647 100mg

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