S296-4426 Screening compound: 5-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
Chemical Structure Depiction of ChemDiv screening compound S296-4426
5-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
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
S296-4426
Molecular Formula
C19H27N5O3 (C19 H27 N5 O3)
Compound Name
5-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
IUPAC name
(3aR6aS)-5-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]-octahydropyrrolo[34-c]pyrrole-13-dione
SMILES
CCn1ncc(CN(C[C@H]2C(N3CCCN(CCC4)C4=O)=O)C[C@@H]2C3=O)c1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
373.46
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
-1.428
Distribution Coefficient, logD
-7.404
Water Solubility, LogSw
-0.98
Polar Surface Area
65.449
Acid Dissociation Constant (pKa)
16.88
Base Dissociation Constant (pKb)
13.38
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
68.40
S296-4426 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral HBV Library (10007 compounds)
CNS MPO Library (28609 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
SH2 PTB Focused Library (6188 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- GPCR
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- Mimetics
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S296-4426 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)