F040-0033 Screening compound: 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound F040-0033
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-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
F040-0033
Molecular Formula
C20H20N4O2S (C20 H20 N4 O2 S)
Compound Name
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
IUPAC name
2-[(3-phenyl-124-oxadiazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
SMILES
O=C(CSc1nc(-c2ccccc2)no1)N(CC1)CCN1c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
380.47
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.741
Distribution Coefficient, logD
3.741
Water Solubility, LogSw
-3.98
Polar Surface Area
50.879
Acid Dissociation Constant (pKa)
20.50
Base Dissociation Constant (pKb)
5.55
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.00
F040-0033 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Human Proteases Annotated Library (2868 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with F040-0033 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)