4534-1650 Screening compound: 5-[(3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of ChemDiv screening compound 4534-1650
5-[(3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
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
4534-1650
Molecular Formula
C17H15N3O4 (C17 H15 N3 O4)
Compound Name
5-[(3,5-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
IUPAC name
5-[(35-dimethylphenoxy)methyl]-3-(3-nitrophenyl)-124-oxadiazole
SMILES
Cc1cc(OCc2nc(-c3cccc([N+]([O-])=O)c3)no2)cc(C)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
325.32
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.835
Distribution Coefficient, logD
4.835
Water Solubility, LogSw
-4.84
Polar Surface Area
72.190
Acid Dissociation Constant (pKa)
28.80
Base Dissociation Constant (pKb)
-7.43
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.60
4534-1650 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 4534-1650 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)