S428-0344 Screening compound: 5-{1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-3-yl}-3-(oxan-4-yl)-1,2,4-oxadiazole
Chemical Structure Depiction of ChemDiv screening compound S428-0344
5-{1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-3-yl}-3-(oxan-4-yl)-1,2,4-oxadiazole
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
S428-0344
Molecular Formula
C22H32N4O4 (C22 H32 N4 O4)
Compound Name
5-{1-[1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-3-yl}-3-(oxan-4-yl)-1,2,4-oxadiazole
IUPAC name
5-{1-[1-(3-methoxypropyl)-25-dimethyl-1H-pyrrole-3-carbonyl]pyrrolidin-3-yl}-3-(oxan-4-yl)-124-oxadiazole
SMILES
Cc1cc(C(N(CC2)CC2c2nc(C3CCOCC3)no2)=O)c(C)n1CCCOC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
416.52
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.529
Distribution Coefficient, logD
2.529
Water Solubility, LogSw
-2.52
Polar Surface Area
67.206
Acid Dissociation Constant (pKa)
26.12
Base Dissociation Constant (pKb)
-2.22
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
68.18
S428-0344 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S428-0344 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)