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FRG8701

CAT: 0931-T11324-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T11324-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108498-50-6
Target
Histamine Receptor
Related Pathways
Neuroscience, Immunology/Inflammation, GPCR/G Protein
Bioactivity
FRG8701 is a new Histamine H2-receptor antagonist with an IC50 of ranging from 0.25 to 0.43 μM.
Smiles
C(C1=CC(OCCCNC(CS(CC2=CC=CO2)=O)=O)=CC=C1)N3CCCCC3
Molecular Formula
C22H30N2O4S
Molecular Weight
418.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-((2-Furanylmethyl)sulfinyl)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)acetamide

structure in first source

CAS Number108498-50-6
PubChem CID130145
IUPAC Name2-(furan-2-ylmethylsulfinyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Molecular FormulaC22H30N2O4S
Molecular Weight418.6
XLogP2.1
Topological Polar Surface Area91
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity513
SMILES
C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC(=O)CS(=O)CC3=CC=CO3
InChI
InChI=1S/C22H30N2O4S/c25-22(18-29(26)17-21-9-5-13-28-21)23-10-6-14-27-20-8-4-7-19(15-20)16-24-11-2-1-3-12-24/h4-5,7-9,13,15H,1-3,6,10-12,14,16-18H2,(H,23,25)
InChIKey
IWLUMUDDKHJJPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((2-Furanylmethyl)sulfinyl)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)acetamide
CAS: 108498-50-6
CID: 130145
Formula: C22H30N2O4S
MW: 418.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.6
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass418.19262862
Monoisotopic Mass418.19262862
Topological Polar Surface Area91 Ų
Heavy Atom Count29
Formal Charge0
Complexity513
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

Alternative Products

CatalogName
MBS5766680FRG8701

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