Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3833388087
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 | 39 USD | 95 | 11 working days | Get Quote |
| 5 mg | 62 USD | 98 | 16 working days | Get Quote |
| 10 mg | 105 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-3833388087.sdf |
| SMILES | MCULE-3833388087.smiles |
| Standard InChI | MCULE-3833388087.inchi |
| InChIKey | MCULE-3833388087.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867616380 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875777671 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-595214710 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851920044 | AmBeed | On request | N/A | As is | by synthesis |
| P-580195257 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864240304 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-591048516 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-851249231 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-860798604 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-887189117 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579478987 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-580360794 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-675216019 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-873250666 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-852523032 | Matrix Scientific | All | N/A | As is | in stock |
| P-854718953 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-872670776 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878640687 | Molnova | Stock | 98 | As is | in stock |
| P-579712267 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888657149 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869161746 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-480840823 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 545.531 |
| logP | 5.4112 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 13 |
| PSA | 103.44 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 144.5408 |
| Atoms | 66 |
| Rings | 4 |
| Heavy atoms | 39 |
| Hydrogen atoms | 27 |
| Heteroatoms | 13 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
