1016-0007 Screening compound: (5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Chemical Structure Depiction of ChemDiv screening compound 1016-0007
(5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
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
1016-0007
Molecular Formula
C12H10BrNO4S (C12 H10 BrNO4 S)
Compound Name
(5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
IUPAC name
(5E)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-13-thiazolidine-24-dione
SMILES
CCOc1cc(/C=C(\C(N2)=O)/SC2=O)cc(Br)c1O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
344.19
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.194
Distribution Coefficient, logD
2.152
Water Solubility, LogSw
-2.73
Polar Surface Area
60.598
Acid Dissociation Constant (pKa)
8.39
Base Dissociation Constant (pKb)
-2.75
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
16.70
1016-0007 in Drug Discovery
Included in Screening Libraries
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 1016-0007 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)