S296-3687 Screening compound: 5-[(3,5-difluorophenyl)methyl]-2-(2-phenylethyl)-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
Chemical Structure Depiction of ChemDiv screening compound S296-3687
5-[(3,5-difluorophenyl)methyl]-2-(2-phenylethyl)-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
S296-3687
Molecular Formula
C21H20F2N2O2 (C21 H20 F2 N2 O2)
Compound Name
5-[(3,5-difluorophenyl)methyl]-2-(2-phenylethyl)-octahydropyrrolo[3,4-c]pyrrole-1,3-dione
IUPAC name
(3aR6aS)-5-[(35-difluorophenyl)methyl]-2-(2-phenylethyl)-octahydropyrrolo[34-c]pyrrole-13-dione
SMILES
O=C([C@H]1[C@@H]2CN(Cc3cc(F)cc(F)c3)C1)N(CCc1ccccc1)C2=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
370.4
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
2.756
Distribution Coefficient, logD
1.884
Water Solubility, LogSw
-3.06
Polar Surface Area
33.435
Acid Dissociation Constant (pKa)
18.67
Base Dissociation Constant (pKb)
8.21
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
33.30
S296-3687 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 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
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Cancer
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- Epigenetic
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S296-3687 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)