Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2143985750
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 | 25 USD | N/A | 14 working days | Get Quote |
| 5 mg | 58 USD | 95 | 11 working days | Get Quote |
| 10 mg | 96 USD | 95 | 11 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-2143985750.sdf |
| SMILES | MCULE-2143985750.smiles |
| Standard InChI | MCULE-2143985750.inchi |
| InChIKey | MCULE-2143985750.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867601078 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-590399512 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606884797 | AmBeed | In stock | N/A | As is | in stock |
| P-580195261 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889533908 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868544813 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-851283692 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-860799485 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-870661427 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-675217581 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-596561738 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-888627002 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869107970 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611482875 | Toronto Research | In stock | 90 | As is | in stock |
| P-868492832 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 596.426 |
| logP | 6.80078 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 11 |
| PSA | 125.37 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 120.8667 |
| Atoms | 53 |
| Rings | 3 |
| Heavy atoms | 40 |
| Hydrogen atoms | 13 |
| Heteroatoms | 17 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 9 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
