Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3141045860
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 | 66 USD | 95 | 10 working days | Get Quote |
| 5 mg | 80 USD | 97 | 17 working days | Get Quote |
| 10 mg | 80 USD | 97 | 17 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.
| Name | File |
|---|---|
| SDF | MCULE-3141045860.sdf |
| SMILES | MCULE-3141045860.smiles |
| Standard InChI | MCULE-3141045860.inchi |
| InChIKey | MCULE-3141045860.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867552131 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875710196 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590375765 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851761050 | AmBeed | On request | N/A | As is | by synthesis |
| P-489226353 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-591070399 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-861452858 | Combi-Blocks | Building Block on demand | 98 | As is | by synthesis |
| P-454376409 | Key Organics | Building Blocks | 95 | As is | 17.969 g |
| P-18788533 | Key Organics | Screening Compounds and Fragments | 95 | As is | 17.969 g |
| P-580477219 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-852411974 | Matrix Scientific | All | N/A | As is | in stock |
| P-519763262 | Maybridge | Maybridge Building Blocks | 97 | As is | 3.8 g |
| P-35250998 | Maybridge | Screening Collection | 97 | As is | 807 g |
| P-854832626 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-855230732 | Toronto Research | In stock | 90 | As is | in stock |
| P-886924533 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 274.747 |
| logP | 3.99358 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 67.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 77.3584 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
