Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7215598845
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 | 33 USD | 90 | 17 working days | Get Quote |
| 5 mg | 46 USD | 98 | 22 working days | Get Quote |
| 10 mg | 64 USD | 90 | 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-7215598845.sdf |
| SMILES | MCULE-7215598845.smiles |
| Standard InChI | MCULE-7215598845.inchi |
| InChIKey | MCULE-7215598845.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875806416 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-590780146 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-887190660 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-852464511 | Matrix Scientific | All | N/A | As is | in stock |
| P-854718483 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-871066732 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888173401 | Molnova | On demand | 98 | As is | by synthesis |
| P-867640417 | A2B Chem | Predominantly Building Block in stock | 99 | As an isomer | in stock |
| P-595222450 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-851506158 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-872722636 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
| P-889496489 | AstaTech | Backordered BBs | 95 | As an isomer | by synthesis |
| P-579480919 | DC Chemicals Limited | Stock Products | 95 | As an isomer | in stock |
| P-503139378 | Innovapharm | Virtual Screening Compounds | 90 | As an isomer | by synthesis |
| P-502664272 | Innovapharm | Screening Compounds | 90 | As an isomer | in stock |
| P-13358641 | InterBioScreen | Screening Compounds | 92 | As an isomer | 266 mg |
| P-873248077 | Key Organics | Building Blocks | 95 | As an isomer | 5 mg |
| P-12550346 | Otava | In-House Stock Library | 90 | As an isomer | 50 mg |
| P-864655425 | Pharmeks LLC | Synthetic compounds | 92 | As an isomer | 266 mg |
| P-18986204 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-888633642 | TargetMol | Screening Compounds | 95 | As an isomer | by synthesis |
| P-869118585 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | in stock |
| P-855065868 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-1927012 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 300 mg |
| P-868535954 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 450.513 |
| logP | 5.77748 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 108.52 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 131.014 |
| Atoms | 51 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 18 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
