T833-2352 Screening compound: 1-[(3,5-difluorophenyl)sulfonyl]-4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazine
Chemical Structure Depiction of ChemDiv screening compound T833-2352
1-[(3,5-difluorophenyl)sulfonyl]-4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazine
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
T833-2352
Molecular Formula
C17H25F2N3O4S2 (C17 H25 F2 N3 O4 S2)
Compound Name
1-[(3,5-difluorophenyl)sulfonyl]-4-[3-ethyl-1-(methylsulfonyl)tetrahydro-1H-pyrrol-3-yl]piperazine
IUPAC name
1-(35-difluorobenzenesulfonyl)-4-(3-ethyl-1-methanesulfonylpyrrolidin-3-yl)piperazine
SMILES
CCC(CC1)(CN1S(C)(=O)=O)N(CC1)CCN1S(c1cc(F)cc(F)c1)(=O)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
437.53
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
2.130
Distribution Coefficient, logD
2.130
Water Solubility, LogSw
-2.31
Polar Surface Area
66.573
Acid Dissociation Constant (pKa)
24.48
Base Dissociation Constant (pKb)
3.54
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
64.71
T833-2352 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Antiviral HBV Library (10007 compounds)
Antiviral Library (67538 compounds)
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Akt-Targeted Library (14764 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Hemic and lymphatic
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- Epigenetic
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
- Others
- Kinases
- Agro
References: we are preparing a list of scientific research reports with T833-2352 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)