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SN 003

CAT: 0931-T23373-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T23373-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
197801-88-0
Target
Others, CRFR
Related Pathways
Others, GPCR/G Protein
Bioactivity
SN 003 is a CRF1 antagonist.
Smiles
C(COC)(CC)N1C=2C(=C(NC3=C(C)C=C(OC)C=C3)N=C(C)C2)N=N1
Molecular Formula
C19H25N5O2
Molecular Weight
355.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine
CAS Number197801-88-0
PubChem CID10291750
IUPAC Name1-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine
Molecular FormulaC19H25N5O2
Molecular Weight355.4
XLogP3.4
Topological Polar Surface Area74.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity440
SMILES
CCC(COC)N1C2=C(C(=NC(=C2)C)NC3=C(C=C(C=C3)OC)C)N=N1
InChI
InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)
InChIKey
FZMBHAQCHCEGNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(1-methoxybutan-2-yl)-N-(4-methoxy-2-methylphenyl)-6-methyltriazolo[4,5-c]pyridin-4-amine
CAS: 197801-88-0
CID: 10291750
Formula: C19H25N5O2
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass355.20082506
Monoisotopic Mass355.20082506
Topological Polar Surface Area74.1 Ų
Heavy Atom Count26
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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