F531-0285 Screening compound: (2E)-1-{4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-3-(2-methoxyphenyl)prop-2-en-1-one
Chemical Structure Depiction of ChemDiv screening compound F531-0285
(2E)-1-{4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-3-(2-methoxyphenyl)prop-2-en-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
F531-0285
Molecular Formula
C24H26N4O3 (C24 H26 N4 O3)
Compound Name
(2E)-1-{4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl}-3-(2-methoxyphenyl)prop-2-en-1-one
IUPAC name
(2E)-1-{4-[4-(5-ethyl-124-oxadiazol-3-yl)phenyl]piperazin-1-yl}-3-(2-methoxyphenyl)prop-2-en-1-one
SMILES
CCc1nc(-c(cc2)ccc2N(CC2)CCN2C(/C=C/c(cccc2)c2OC)=O)no1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
418.5
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.653
Distribution Coefficient, logD
4.653
Water Solubility, LogSw
-4.45
Polar Surface Area
58.593
Acid Dissociation Constant (pKa)
28.46
Base Dissociation Constant (pKb)
3.93
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
29.20
F531-0285 in Drug Discovery
Included in Screening Libraries
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Covalent Inhibitors Library (7986 compounds)
?ysteine Targeted Covalent Library (39471 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- Cyclic compounds
- Cyclic compounds
- 3D
- Fragments
References: we are preparing a list of scientific research reports with F531-0285 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)