S633-7687 Screening compound: 3-{5-[1-(2-methoxyethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl (3-methoxyphenyl) sulfone
Chemical Structure Depiction of ChemDiv screening compound S633-7687
3-{5-[1-(2-methoxyethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl (3-methoxyphenyl) sulfone
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
S633-7687
Molecular Formula
C19H26N4O5S (C19 H26 N4 O5 S)
Compound Name
3-{5-[1-(2-methoxyethyl)-2-pyrrolidinyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl (3-methoxyphenyl) sulfone
IUPAC name
n/a
SMILES
COCCN(CCC1)C1c1nc(C(C2)CN2S(c2cc(OC)ccc2)(=O)=O)no1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
422.51
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
1.982
Distribution Coefficient, logD
1.064
Water Solubility, LogSw
-2.57
Polar Surface Area
83.647
Acid Dissociation Constant (pKa)
27.17
Base Dissociation Constant (pKb)
8.26
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
57.90
S633-7687 in Drug Discovery
Included in Screening Libraries
CNS MPO Library (28609 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Alpha-Helix Mimetics Library (25899 compounds)
Included in 1.7M Stock Database
- Nervous system
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with S633-7687 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)