Molecular Details
DICL_CP_0347346
- 2,4-dichloro-N-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0347346
PubChem CID
Molecular Formula
C14H22Cl2N2O2S Molecular Weight
353.315 g/mol
Synonyms/Alias
[946387-07-1; RN-1734; RN 1734; RN1734; 2;4-Dichloro-N-isopropyl-N-(2-isopropylaminoethyl)benzenesulfonamide; 2;4-dichloro-N-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide; CHEMBL2324347;...
InChI Key
IHYZMEAZAIFMTN-UHFFFAOYSA-N
InChI
InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H...
IUPAC Name
2,4-dichloro-N-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CAS Number
946387-07-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
43 43 0 0 0 0 0 0 0 0999 V2000
3.8115 2.4666 -0.8725 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3020 1.2155 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4449 0.201...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 4
Uniprot Accession Number
Function
Agonist
Species
Mus musculus (Mouse)
IC50
IC50: 5900 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
P-STS midgut neuroendocrine tumor cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
7
logP
3.3905
Complexity
88.6285
TPSA (Ų)
49.41
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
1