S069-3207 Screening compound: 2-[3-(pyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrazine
Chemical Structure Depiction of ChemDiv screening compound S069-3207
2-[3-(pyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrazine
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
S069-3207
Molecular Formula
C10H11N5O (C10 H11 N5 O)
Compound Name
2-[3-(pyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrazine
IUPAC name
2-[3-(pyrrolidin-3-yl)-124-oxadiazol-5-yl]pyrazine
SMILES
C(CNC1)C1c1noc(-c2nccnc2)n1
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
2HCl
Molecular Weight
217.23
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
0.187
Distribution Coefficient, logD
-2.823
Water Solubility, LogSw
-1.23
Polar Surface Area
62.660
Acid Dissociation Constant (pKa)
25.64
Base Dissociation Constant (pKb)
10.41
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
40.00
S069-3207 in Drug Discovery
Included in Screening Libraries
3D-Fragment Library (4274 compounds)
CNS MPO Library (28609 compounds)
Protein-Protein Interaction Library (218420 compounds)
Soluble Diversity Library (15920 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
- 3D
- Fragments
- Cyclic compounds
- Nervous system
- Nervous system
- Cardiovascular
- Cancer
- Musculoskeletal
- Female
- Hemic and lymphatic
- Cardiovascular
- PPI modulators
- PPI modulators
- Epigenetic
- Ion Channels
References: we are preparing a list of scientific research reports with S069-3207 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)