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RXFP3 agonist 1

CAT: 0013-GTR19187485-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187485-01Size:25 mg
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Description
RXFP3 agonist 1 is a synthetic small molecule activator of the RXFP3 receptor with an EC50 of 6937 nM. This compound is a valuable research tool for investigating the physiological roles of relaxin-3 signaling in neuroendocrine and metabolic processes, suitable for both in vitro and in vivo studies.
CAS Number
2752378-24-6
Field of Research
Pharmacology & Drug Discovery
Smiles
C (=N/NC (NCCC1=CC=C (Cl) C=C1) =N) \C=2C=3C (NC2) =CC=CC3
Molecular Formula
C18H18ClN5
Molecular Weight
339.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

RXFP3 agonist 1
CAS Number2752378-24-6
PubChem CID162679306
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-1-[(E)-1H-indol-3-ylmethylideneamino]guanidine
Molecular FormulaC18H18ClN5
Molecular Weight339.8
XLogP3.4
Topological Polar Surface Area78.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity445
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=NCCC3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C18H18ClN5/c19-15-7-5-13(6-8-15)9-10-21-18(20)24-23-12-14-11-22-17-4-2-1-3-16(14)17/h1-8,11-12,22H,9-10H2,(H3,20,21,24)/b23-12+
InChIKey
ZENKUQGXHYGPAV-FSJBWODESA-N
Chemical Structure
2D Structure
2D structure of RXFP3 agonist 1
CAS: 2752378-24-6
CID: 162679306
Formula: C18H18ClN5
MW: 339.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.8
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass339.1250733
Monoisotopic Mass339.1250733
Topological Polar Surface Area78.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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