S937-0773 Screening compound: 3-(oxolan-2-yl)-4-[1-(propane-1-sulfonyl)azetidin-3-yl]-4H-1,2,4-triazole
Chemical Structure Depiction of ChemDiv screening compound S937-0773
3-(oxolan-2-yl)-4-[1-(propane-1-sulfonyl)azetidin-3-yl]-4H-1,2,4-triazole
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
S937-0773
Molecular Formula
C12H20N4O3S (C12 H20 N4 O3 S)
Compound Name
3-(oxolan-2-yl)-4-[1-(propane-1-sulfonyl)azetidin-3-yl]-4H-1,2,4-triazole
IUPAC name
3-(oxolan-2-yl)-4-[1-(propane-1-sulfonyl)azetidin-3-yl]-4H-124-triazole
SMILES
CCCS(N(C1)CC1n1c(C2OCCC2)nnc1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
300.38
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
-0.279
Distribution Coefficient, logD
-0.279
Water Solubility, LogSw
-1.06
Polar Surface Area
64.910
Acid Dissociation Constant (pKa)
19.06
Base Dissociation Constant (pKb)
4.17
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
83.33
S937-0773 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
CNS MPO Library (28609 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Nervous system
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with S937-0773 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)