Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3166331366
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 41 USD | 98 | 16 working days | Get Quote |
| 5 mg | 57 USD | 98 | 16 working days | Get Quote |
| 10 mg | 69 USD | 97 | 16 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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.
-
MCULE-1951731797
- Component type: Main
-
MCULE-3154628917
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3166331366.sdf |
| SMILES | MCULE-3166331366.smiles |
| Standard InChI | MCULE-3166331366.inchi |
| InChIKey | MCULE-3166331366.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489218490 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-590729732 | BLD pharm | Non-stock building blocks | 99 | As is | by synthesis |
| P-851268630 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-887188878 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-872798745 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-875884285 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878641239 | Molnova | Stock | 98 | As is | in stock |
| P-590961878 | BLD pharm | Non-stock building blocks | 98 | As a main component | by synthesis |
| P-613257614 | BLD pharm | In-stock building blocks | 97 | As a main component | 959 mg |
| P-861379602 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-887183536 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-854718650 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
| P-871073553 | MedKoo | In stock compounds | 95 | As a main component | in stock |
| P-878644351 | Molnova | Stock | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 465.605 |
| logP | 5.5233 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 75.22 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 134.8278 |
| Atoms | 64 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 31 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
