8014-2638 Screening compound: 2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hydroxy-3-phenyl-2,3-dihydro-1H-isoindol-1-one
Chemical Structure Depiction of ChemDiv screening compound 8014-2638
2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hydroxy-3-phenyl-2,3-dihydro-1H-isoindol-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
8014-2638
Molecular Formula
C25H21N3O3 (C25 H21 N3 O3)
Compound Name
2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-hydroxy-3-phenyl-2,3-dihydro-1H-isoindol-1-one
IUPAC name
2-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-3-hydroxy-3-phenyl-23-dihydro-1H-isoindol-1-one
SMILES
CC(N(C)N(C1=O)c2ccccc2)=C1N(C(c1c2cccc1)(c1ccccc1)O)C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
411.46
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.206
Distribution Coefficient, logD
3.206
Water Solubility, LogSw
-3.48
Polar Surface Area
51.532
Acid Dissociation Constant (pKa)
13.99
Base Dissociation Constant (pKb)
-2.53
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
12.00
8014-2638 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
BRD4 Targeted Library (4534 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
DGK Inhibitors Library (10558 compounds)
Dark Chemical Matter Library (18430 compounds)
GPCR Targeted Library (31838 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
New Agro Library (44492 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Cancer
- Hemic and lymphatic
- Cardiovascular
- Metabolic
- Cancer
- Digestive system
- Hemic and lymphatic
- Skin
- Metabolic
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Kinases
- GPCR
- Others
- Receptor's ligands
- Epigenetic
- Agro
References: we are preparing a list of scientific research reports with 8014-2638 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)