GW-406381 100mg

CAT: 0628-A19118-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A19118-100Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

221148-46-5

Chemical Information

2-(4-Ethoxyphenyl)-3-(4-(methylsulfonyl)phenyl)pyrazolo(1,5-b)pyridazine

GW-406381 has been used in trials studying the treatment of Pain, Trauma, Neurodynia, Dental Pain, and Hyperalgesia, among others.

CAS Number	221148-46-5
PubChem CID	9832687
IUPAC Name	2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazine
Molecular Formula	C21H19N3O3S
Molecular Weight	393.5
XLogP	3.5
Topological Polar Surface Area	81.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	607

SMILES

CCOC1=CC=C(C=C1)C2=NN3C(=C2C4=CC=C(C=C4)S(=O)(=O)C)C=CC=N3

InChI

InChI=1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3

InChIKey

NXMZBNYLCVTRGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 221148-46-5

CID: 9832687

Formula: C21H19N3O3S

MW: 393.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	393.5
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	393.11471265
Monoisotopic Mass	393.11471265
Topological Polar Surface Area	81.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	607
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes