Molecular Details
DICL_CP_0321500
- 2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0321500
PubChem CID
Molecular Formula
C10H5ClF2N2OS Molecular Weight
274.679 g/mol
Synonyms/Alias
[2-chloro-4;5-difluoro-N-(1;3-thiazol-2-yl)benzamide; 303064-61-1; Oprea1_164235; STK865457; AKOS003237981; AG-205/34705005; SR-01000237088; SR-01000237088-1; Z28173870]
InChI Key
ZCEYDGPBMQFAEZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H5ClF2N2OS/c11-6-4-8(13)7(12)3-5(6)9(16)15-10-14-1-2-17-10/h1-4H,(H,14,15,16)
IUPAC Name
2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide
CAS Number
303064-61-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
22 23 0 0 0 0 0 0 0 0999 V2000
-4.4798 -0.5532 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9168 0.7401 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5659 1.693...
Experimental Data
Activity Data
Target Ion Channel
Zinc-Activated Channel
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: ~10000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
2
logP
3.327
Complexity
61.4352
TPSA (Ų)
41.99
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2