C522-0574 Screening compound: N-benzyl-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C522-0574
N-benzyl-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
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
C522-0574
Molecular Formula
C26H31N3O4 (C26 H31 N3 O4)
Compound Name
N-benzyl-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
IUPAC name
N-benzyl-1-{[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}piperidine-4-carboxamide
SMILES
Cc1c(CN(CC2)CCC2C(NCc2ccccc2)=O)nc(-c(cc2)cc(OC)c2OC)o1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
449.55
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.808
Distribution Coefficient, logD
1.848
Water Solubility, LogSw
-3.29
Polar Surface Area
61.767
Acid Dissociation Constant (pKa)
12.56
Base Dissociation Constant (pKb)
8.31
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.50
C522-0574 in Drug Discovery
Included in Screening Libraries
CORONAVIRUS Library (20774 compounds)
GPCR Targeted Library (31838 compounds)
Macl-GPIb alpha Interaction Library (22969 compounds)
PLpro Library (6343 compounds)
Targeted Diversity Library (40567 compounds)
PD-1/L1 Library (498 compounds)
Included in 1.7M Stock Database
- Nervous system
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Hemic and lymphatic
- Cardiovascular
- Antiviral
- Infections
- Immune system
- Cancer
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Immune system
- GPCR
- Others
- Receptor's ligands
References: we are preparing a list of scientific research reports with C522-0574 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)