DIDS

Ligand id: 4177

Name: DIDS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 214.4
Molecular weight 453.94
XLogP 4.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-isothiocyanato-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzene-1-sulfonic acid
Synonyms
4,4'-diisothiocyanostilbene-2,2'-disulphonic acid | ABC inhibitor 2 [1]
Database Links
CAS Registry No. 53005-05-3 (source: Scifinder)
PubChem CID 40600
Search Google for chemical match using the InChIKey YSCNMFDFYJUPEF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YSCNMFDFYJUPEF
Search UniChem for chemical match using the InChIKey YSCNMFDFYJUPEF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YSCNMFDFYJUPEF
Wikipedia DIDS
Comments
This compound inhibits ATP-binding cassette transporter 1 (ABCA1) [3].
There is some ambiguity as to the exact structure of this compund, with both the (E) and (Z) forms reported in the literature and on supplier websites. We show the (E) bond. The (Z) is shown in PubChem CID 9548709.