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NGD 98-2

CAT: 0931-T69374-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69374-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
355836-54-3
Target
CRFR, Others
Related Pathways
GPCR/G Protein, Others
Bioactivity
NGD 98-2 is a new generation, topology 2 selective orally active corticotropin releasing factor-1 (CRF-1) receptor antagonist.
Smiles
O(C)C1=C(C=CC(OC(F)(F)F)=C1)C2=NC(OC)=C(NC(CC)CC)N=C2C
Molecular Formula
C19H24F3N3O3
Molecular Weight
399.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(1-ethylpropyl)-(3-methoxy-5-(2-methoxy-4-trifluoromethoxyphenyl)-6-methyl-pyrazin-2-yl)amine

corticotropin releasing factor-1 receptor antagonist; structure in first source

CAS Number355836-54-3
PubChem CID9822241
IUPAC Name3-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
Molecular FormulaC19H24F3N3O3
Molecular Weight399.4
XLogP5.5
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity465
SMILES
CCC(CC)NC1=NC(=C(N=C1OC)C2=C(C=C(C=C2)OC(F)(F)F)OC)C
InChI
InChI=1S/C19H24F3N3O3/c1-6-12(7-2)24-17-18(27-5)25-16(11(3)23-17)14-9-8-13(10-15(14)26-4)28-19(20,21)22/h8-10,12H,6-7H2,1-5H3,(H,23,24)
InChIKey
PSUFQBRCUSJTDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-ethylpropyl)-(3-methoxy-5-(2-methoxy-4-trifluoromethoxyphenyl)-6-methyl-pyrazin-2-yl)amine
CAS: 355836-54-3
CID: 9822241
Formula: C19H24F3N3O3
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass399.17697612
Monoisotopic Mass399.17697612
Topological Polar Surface Area65.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity465
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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