S069-0605 Screening compound: 2-methoxy-5-{3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonyl}pyridine
Chemical Structure Depiction of ChemDiv screening compound S069-0605
2-methoxy-5-{3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonyl}pyridine
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
S069-0605
Molecular Formula
C18H17N5O3 (C18 H17 N5 O3)
Compound Name
2-methoxy-5-{3-[5-(pyridin-4-yl)-1,2,4-oxadiazol-3-yl]pyrrolidine-1-carbonyl}pyridine
IUPAC name
2-methoxy-5-{3-[5-(pyridin-4-yl)-124-oxadiazol-3-yl]pyrrolidine-1-carbonyl}pyridine
SMILES
COc(cc1)ncc1C(N(CC1)CC1c1noc(-c2ccncc2)n1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
351.36
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
1.718
Distribution Coefficient, logD
1.718
Water Solubility, LogSw
-1.39
Polar Surface Area
74.602
Acid Dissociation Constant (pKa)
25.67
Base Dissociation Constant (pKb)
4.57
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
27.80
S069-0605 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 compounds)
GPCR Targeted Library (31838 compounds)
NOTUM (Wnt signaling) Library (3881 compounds)
PI3K-Targeted Library (17255 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Anti-HIV1 Library (19540 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Ion Channels Focused Library (26372 compounds)
MEF2-HDAC (class II) Modulators Library (5147 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Nervous system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Antiviral
- Infections
- Immune system
- Nervous system
- Cardiovascular
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- Receptor's ligands
- PPI modulators
- PPI modulators
- PPI modulators
- Epigenetic
- GPCR
- Kinases
- Ion Channels
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with S069-0605 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)