S296-4849 Screening compound: 5-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]-2-[1-(THIOPHEN-2-YL)PROPYL]-OCTAHYDROPYRROLO[3,4-C]PYRROLE-1,3-DIONE
Chemical Structure Depiction of ChemDiv screening compound S296-4849
5-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]-2-[1-(THIOPHEN-2-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
S296-4849
Molecular Formula
C17H20N4O4S2 (C17 H20 N4 O4 S2)
Compound Name
5-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]-2-[1-(THIOPHEN-2-YL)PROPYL]-OCTAHYDROPYRROLO[3,4-C]PYRROLE-1,3-DIONE
IUPAC name
n/a
SMILES
CCC(c1cccs1)N(C([C@H](C1)[C@@H]2CN1S(c1cn(C)cn1)(=O)=O)=O)C2=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
408.5
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
0.390
Distribution Coefficient, logD
0.390
Water Solubility, LogSw
-2.29
Polar Surface Area
73.790
Acid Dissociation Constant (pKa)
19.22
Base Dissociation Constant (pKb)
-0.62
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
47.10
S296-4849 in Drug Discovery
Included in Screening Libraries
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- 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 S296-4849 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)