S550-0257 Screening compound: 4-methoxy-2-methyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)benzamide
Chemical Structure Depiction of ChemDiv screening compound S550-0257
4-methoxy-2-methyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)benzamide
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
S550-0257
Molecular Formula
C21H22N6O3 (C21 H22 N6 O3)
Compound Name
4-methoxy-2-methyl-N-({8-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}methyl)benzamide
IUPAC name
4-methoxy-2-methyl-N-({8-[3-(propan-2-yl)-124-oxadiazol-5-yl]-[124]triazolo[43-a]pyridin-3-yl}methyl)benzamide
SMILES
CC(C)c1noc(-c2cccn3c2nnc3CNC(c(cc2)c(C)cc2OC)=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
406.44
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.866
Distribution Coefficient, logD
2.866
Water Solubility, LogSw
-3.35
Polar Surface Area
87.006
Acid Dissociation Constant (pKa)
11.20
Base Dissociation Constant (pKb)
-5.95
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.60
S550-0257 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- PPI modulators
- Receptor's ligands
- PPI modulators
- Mimetics
- Mimetics
- GPCR
References: we are preparing a list of scientific research reports with S550-0257 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)