7086-9699 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenoxy-4-(thiophen-2-yl)azetidin-2-one
Chemical Structure Depiction of ChemDiv screening compound 7086-9699
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenoxy-4-(thiophen-2-yl)azetidin-2-one
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
7086-9699
Molecular Formula
C21H17NO4S (C21 H17 NO4 S)
Compound Name
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-phenoxy-4-(thiophen-2-yl)azetidin-2-one
IUPAC name
1-[(2H-13-benzodioxol-5-yl)methyl]-3-phenoxy-4-(thiophen-2-yl)azetidin-2-one
SMILES
O=C(C1Oc2ccccc2)N(Cc(cc2)cc3c2OCO3)C1c1cccs1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
379.44
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.640
Distribution Coefficient, logD
3.640
Water Solubility, LogSw
-3.98
Polar Surface Area
40.535
Acid Dissociation Constant (pKa)
21.37
Base Dissociation Constant (pKb)
-2.04
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
19.00
7086-9699 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-Inflammatory Library (24602 compounds)
Dark Chemical Matter Library (18430 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Immune system
References: we are preparing a list of scientific research reports with 7086-9699 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)