P597-0398 Screening compound: N-(3-{3-[1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl]-1,2,4-oxadiazol-5-yl}phenyl)acetamide
Chemical Structure Depiction of ChemDiv screening compound P597-0398
N-(3-{3-[1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl]-1,2,4-oxadiazol-5-yl}phenyl)acetamide
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
P597-0398
Molecular Formula
C20H19N5O2 (C20 H19 N5 O2)
Compound Name
N-(3-{3-[1-(propan-2-yl)-1H-1,3-benzodiazol-6-yl]-1,2,4-oxadiazol-5-yl}phenyl)acetamide
IUPAC name
N-(3-{3-[1-(propan-2-yl)-1H-13-benzodiazol-6-yl]-124-oxadiazol-5-yl}phenyl)acetamide
SMILES
CC(C)n1c(cc(cc2)-c3noc(-c4cccc(NC(C)=O)c4)n3)c2nc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
361.4
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.948
Distribution Coefficient, logD
3.947
Water Solubility, LogSw
-4.06
Polar Surface Area
66.154
Acid Dissociation Constant (pKa)
13.54
Base Dissociation Constant (pKb)
4.98
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.00
P597-0398 in Drug Discovery
Included in Screening Libraries
Antifungal Library (16415 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
- Nervous system
- Agro
- PPI modulators
References: we are preparing a list of scientific research reports with P597-0398 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)