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SN00799639

CAT: 0013-GTR19208458-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208458-02Size:50 mg
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Description
SN00799639 (SN639) is a small molecule inhibitor effective against the parasitic nematode Haemonchus contortus, showing inhibitory activity in larval motility (xL3, IC50 8.4 μM) and development (L4, IC50 0.29 μM) assays. This compound is a useful research tool for in vitro anthelmintic studies in veterinary parasitology.
CAS Number
1340790-22-8
Smiles
C (C) C=1N=C (SC1) C2=CC=C (CNC (=O) C=3N (C) N=CC3) C=C2
Molecular Formula
C17H18N4OS
Molecular Weight
326.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[[4-(4-ethyl-1,3-thiazol-2-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CAS Number1340790-22-8
PubChem CID87050305
IUPAC NameN-[[4-(4-ethyl-1,3-thiazol-2-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
Molecular FormulaC17H18N4OS
Molecular Weight326.4
XLogP2.9
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity400
SMILES
CCC1=CSC(=N1)C2=CC=C(C=C2)CNC(=O)C3=CC=NN3C
InChI
InChI=1S/C17H18N4OS/c1-3-14-11-23-17(20-14)13-6-4-12(5-7-13)10-18-16(22)15-8-9-19-21(15)2/h4-9,11H,3,10H2,1-2H3,(H,18,22)
InChIKey
QWQMIFNXLGOUEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[4-(4-ethyl-1,3-thiazol-2-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CAS: 1340790-22-8
CID: 87050305
Formula: C17H18N4OS
MW: 326.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass326.12013238
Monoisotopic Mass326.12013238
Topological Polar Surface Area88.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity400
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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CatalogName
T70938-01SN00799639

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