MCULE-4691023890
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
1
MCULE-3851331742
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4691023890.sdf |
SMILES | MCULE-4691023890.smiles |
Standard InChI | MCULE-4691023890.inchi |
InChIKey | MCULE-4691023890.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872828601 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-674961921 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-875773216 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-617324181 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-584598808 | Alinda | Building Blocks | 95 | As is | in stock |
P-851451806 | AmBeed | On request | N/A | As is | by synthesis |
P-590750786 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-616225992 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-4142351 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-617653455 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-617650655 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861526701 | Combi-Blocks | Building Block on demand | 98 | As is | by synthesis |
P-862057697 | FluoroChem | General BB | 95 | As is | in stock |
P-852428459 | Matrix Scientific | All | N/A | As is | in stock |
P-895676750 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-888581612 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611396940 | Toronto Research | In stock | 90 | As is | in stock |
P-893680703 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-851796321 | AmBeed | On request | N/A | Main component | by synthesis |
P-590975802 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-864055794 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 3 |
Mass | 256.195 |
logP | 3.5713 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 70.39 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 68.3594 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 15 |
Heteroatoms | 6 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |