D132-0058 Screening compound: 6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate
Chemical Structure Depiction of ChemDiv screening compound D132-0058
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate
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
D132-0058
Molecular Formula
C23H16O6S (C23 H16 O6 S)
Compound Name
6-(2H-1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate
IUPAC name
6-(2H-13-benzodioxol-5-yl)-13-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl thiophene-2-carboxylate
SMILES
Cc(oc(C)c1C(OC(c2cccs2)=O)=CC(c(cc2)cc3c2OCO3)=C2)c1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
420.44
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.742
Distribution Coefficient, logD
4.742
Water Solubility, LogSw
-4.79
Polar Surface Area
59.649
Acid Dissociation Constant (pKa)
31.68
Base Dissociation Constant (pKb)
0.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
13.00
D132-0058 in Drug Discovery
Included in Screening Libraries
Allosteric Kinases Inhibitors Library (23117 compounds)
Anti-Inflammatory Library (24602 compounds)
Included in 1.7M Stock Database
- Cancer
- Female
- Congenital
- Skin
- Immune system
- Kinases
References: we are preparing a list of scientific research reports with D132-0058 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)