E981-2121 Screening compound: 6-cyclopropyl-N-(3-fluorophenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound E981-2121
6-cyclopropyl-N-(3-fluorophenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-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
E981-2121
Molecular Formula
C23H19FN4O (C23 H19 FN4 O)
Compound Name
6-cyclopropyl-N-(3-fluorophenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
IUPAC name
6-cyclopropyl-N-(3-fluorophenyl)-3-methyl-1-phenyl-1H-pyrazolo[34-b]pyridine-4-carboxamide
SMILES
Cc(c(c1nc(C2CC2)c2)c2C(Nc2cccc(F)c2)=O)nn1-c1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
386.43
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.929
Distribution Coefficient, logD
4.922
Water Solubility, LogSw
-4.82
Polar Surface Area
46.977
Acid Dissociation Constant (pKa)
9.21
Base Dissociation Constant (pKb)
2.60
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
17.40
E981-2121 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
CNS targets activity set (6557 compounds)
Immunological Library (6760 compounds)
PI3K-Targeted Library (17255 compounds)
Protein-Protein Interaction Library (218420 compounds)
Purinergic Library (3321 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Nervous system
- Cardiovascular
- Metabolic
- Kinases
- GPCR
- Ion Channels
- PPI modulators
- Receptor's ligands
References: we are preparing a list of scientific research reports with E981-2121 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)