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GPR17 modulator-1

CAT: 0013-GTR19238040-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238040-02Size:50 mg
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Description
GPR17 Modulator-1 (Compound 2-046) is a potent, brain-penetrant small molecule antagonist of human GPR17 (IC50 < 10 nM) . Its moderate PK profile supports its use in both cellular assays and in vivo rodent models for researching neuroinflammatory and demyelinating diseases.
CAS Number
3039853-91-0
Field of Research
Signal Transduction
Smiles
O=S (=O) (NC1=CC (F) =C (N=C1OC) OCC (F) F) C=2C=NN3C=C (Cl) C=CC23
Molecular Formula
C15H12ClF3N4O4S
Molecular Weight
436.79
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GPR17 modulator-1
CAS Number3039853-91-0
PubChem CID172419492
IUPAC Name6-chloro-N-[6-(2,2-difluoroethoxy)-5-fluoro-2-methoxy-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-sulfonamide
Molecular FormulaC15H12ClF3N4O4S
Molecular Weight436.8
XLogP2.7
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity629
SMILES
COC1=NC(=C(C=C1NS(=O)(=O)C2=C3C=CC(=CN3N=C2)Cl)F)OCC(F)F
InChI
InChI=1S/C15H12ClF3N4O4S/c1-26-15-10(4-9(17)14(21-15)27-7-13(18)19)22-28(24,25)12-5-20-23-6-8(16)2-3-11(12)23/h2-6,13,22H,7H2,1H3
InChIKey
LWKOMJFDEJJLET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GPR17 modulator-1
CAS: 3039853-91-0
CID: 172419492
Formula: C15H12ClF3N4O4S
MW: 436.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight436.8
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass436.0219882
Monoisotopic Mass436.0219882
Topological Polar Surface Area103 Ų
Heavy Atom Count28
Formal Charge0
Complexity629
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