4517-0676 Screening compound: 2-{2,4-dioxo-5-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of ChemDiv screening compound 4517-0676
2-{2,4-dioxo-5-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-1,3-thiazolidin-3-yl}acetic acid
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
4517-0676
Molecular Formula
C13H8N2O5S (C13 H8 N2 O5 S)
Compound Name
2-{2,4-dioxo-5-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-1,3-thiazolidin-3-yl}acetic acid
IUPAC name
2-{24-dioxo-5-[(3E)-2-oxo-23-dihydro-1H-indol-3-ylidene]-13-thiazolidin-3-yl}acetic acid
SMILES
OC(CN(C(/C(/S1)=C(/c(cccc2)c2N2)\C2=O)=O)C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
304.28
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.021
Distribution Coefficient, logD
-3.704
Water Solubility, LogSw
-2.43
Polar Surface Area
83.495
Acid Dissociation Constant (pKa)
3.68
Base Dissociation Constant (pKb)
-1.97
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
7.70
4517-0676 in Drug Discovery
Included in Screening Libraries
Human Proteases Annotated Library (2868 compounds)
Human Receptors Annotated Library (5376 compounds)
NOTUM (Wnt signaling) Library (3881 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 4517-0676 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)