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GLPG2938

CAT: 0013-GTR19156168-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156168-05Size:10 mg
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Description
GLPG2938 is a potent and selective antagonist of S1P2.
CAS Number
2130996-00-6
Product Name Alternative
1- (2-Ethoxy-6- (trifluoromethyl) pyridin-4-yl) -3- ((5-methyl-6- (1-methyl-3- (trifluoromethyl) -1H-pyrazol-4-yl) pyridazin-3-yl) methyl) urea
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (198.65 mM)
Smiles
CCOc1cc (NC (NCc2nnc (-c3cn (C) nc3C (F) (F) F) c (C) c2) =O) cc (C (F) (F) F) n1
Molecular Formula
C20H19F6N7O2
Molecular Weight
503.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

1-(2-Ethoxy-6-(trifluoromethyl)pyridin-4-yl)-3-((5-methyl-6-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)pyridazin-3-yl)methyl)urea
CAS Number2130996-00-6
PubChem CID137377911
IUPAC Name1-[2-ethoxy-6-(trifluoromethyl)-4-pyridinyl]-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
Molecular FormulaC20H19F6N7O2
Molecular Weight503.4
XLogP2.2
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity712
SMILES
CCOC1=CC(=CC(=N1)C(F)(F)F)NC(=O)NCC2=NN=C(C(=C2)C)C3=CN(N=C3C(F)(F)F)C
InChI
InChI=1S/C20H19F6N7O2/c1-4-35-15-7-11(6-14(29-15)19(21,22)23)28-18(34)27-8-12-5-10(2)16(31-30-12)13-9-33(3)32-17(13)20(24,25)26/h5-7,9H,4,8H2,1-3H3,(H2,27,28,29,34)
InChIKey
MGJMUVKYINFAQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Ethoxy-6-(trifluoromethyl)pyridin-4-yl)-3-((5-methyl-6-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)pyridazin-3-yl)methyl)urea
CAS: 2130996-00-6
CID: 137377911
Formula: C20H19F6N7O2
MW: 503.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass503.15044185
Monoisotopic Mass503.15044185
Topological Polar Surface Area107 Ų
Heavy Atom Count35
Formal Charge0
Complexity712
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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