S826-4258 Screening compound: 5-{[3-(METHOXYMETHYL)-4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)PYRROLIDIN-1-YL]METHYL}-1H-INDOLE
Chemical Structure Depiction of ChemDiv screening compound S826-4258
5-{[3-(METHOXYMETHYL)-4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)PYRROLIDIN-1-YL]METHYL}-1H-INDOLE
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
S826-4258
Molecular Formula
C18H22N4O2 (C18 H22 N4 O2)
Compound Name
5-{[3-(METHOXYMETHYL)-4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)PYRROLIDIN-1-YL]METHYL}-1H-INDOLE
IUPAC name
n/a
SMILES
Cc1noc([C@@H]2[C@@H](COC)CN(Cc(cc3)cc4c3[nH]cc4)C2)n1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
326.4
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.241
Distribution Coefficient, logD
0.511
Water Solubility, LogSw
-2.79
Polar Surface Area
53.699
Acid Dissociation Constant (pKa)
18.61
Base Dissociation Constant (pKb)
9.12
Number of Chiral Centers
2.00
Percent sp3 carbon bonding
44.40
S826-4258 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- GPCR
- Receptor's ligands
- PPI modulators
- PPI modulators
- Mimetics
References: we are preparing a list of scientific research reports with S826-4258 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)