C651-0107 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C651-0107
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-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
C651-0107
Molecular Formula
C22H22N4O4 (C22 H22 N4 O4)
Compound Name
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
IUPAC name
N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-3-(3-methoxyphenyl)-45-dihydro-12-oxazole-5-carboxamide
SMILES
CC(N(C)N(C1=O)c2ccccc2)=C1NC(C(C1)ON=C1c1cc(OC)ccc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
406.44
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.871
Distribution Coefficient, logD
1.687
Water Solubility, LogSw
-2.45
Polar Surface Area
73.848
Acid Dissociation Constant (pKa)
7.68
Base Dissociation Constant (pKb)
-0.00
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
22.70
C651-0107 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Dark Chemical Matter Library (18430 compounds)
Protein-Protein Interaction Library (218420 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Cyclic compounds
- PPI modulators
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with C651-0107 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)