P937-2068 Screening compound: 3-(5-{[1-(propylsulfonyl)tetrahydro-1H-pyrrol-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
Chemical Structure Depiction of ChemDiv screening compound P937-2068
3-(5-{[1-(propylsulfonyl)tetrahydro-1H-pyrrol-3-yl]methyl}-4H-1,2,4-triazol-3-yl)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
P937-2068
Molecular Formula
C15H21N5O2S (C15 H21 N5 O2 S)
Compound Name
3-(5-{[1-(propylsulfonyl)tetrahydro-1H-pyrrol-3-yl]methyl}-4H-1,2,4-triazol-3-yl)pyridine
IUPAC name
n/a
SMILES
CCCS(N1CC(Cc2nnc(-c3cnccc3)[nH]2)CC1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
335.43
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.991
Distribution Coefficient, logD
0.886
Water Solubility, LogSw
-1.63
Polar Surface Area
76.436
Acid Dissociation Constant (pKa)
4.86
Base Dissociation Constant (pKb)
6.67
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
53.30
P937-2068 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with P937-2068 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)