S720-2271 Screening compound: 1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound S720-2271
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-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
S720-2271
Molecular Formula
C15H18N4O4S (C15 H18 N4 O4 S)
Compound Name
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide
IUPAC name
(2S4S)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-4-phenoxypyrrolidine-2-carboxamide
SMILES
Cn1cnc(S(N(C[C@H](C2)Oc3ccccc3)[C@@H]2C(N)=O)(=O)=O)c1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
350.4
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
0.025
Distribution Coefficient, logD
0.025
Water Solubility, LogSw
-1.96
Polar Surface Area
85.451
Acid Dissociation Constant (pKa)
14.69
Base Dissociation Constant (pKb)
-1.31
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
33.33
S720-2271 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Natural-Product-Based Library (3730 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Included in 1.7M Stock Database
- Pool
- Mimetics
- PPI modulators
- PPI modulators
- Epigenetic
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
References: we are preparing a list of scientific research reports with S720-2271 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)