Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9421076450-0
Structure
Show compound
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 | 95 USD | 90 | 22 working days | Get Quote |
| 5 mg | 95 USD | 90 | 22 working days | Get Quote |
| 10 mg | 95 USD | 90 | 22 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-9421076450-0.sdf |
| SMILES | MCULE-9421076450-0.smiles |
| Standard InChI | MCULE-9421076450-0.inchi |
| InChIKey | MCULE-9421076450-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867646702 | A2B Chem | Predominantly Building Block in stock | 90 | As is | in stock |
| P-590415612 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851628362 | AmBeed | On request | N/A | As is | by synthesis |
| P-596933446 | Angene | Building Blocks in stock | 90 | As is | 100 mg |
| P-869396033 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-596566642 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-31164928 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-856045280 | LaboTest | Building Blocks | 90 | As is | 2 g |
| P-869116992 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888632385 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-502365502 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611435999 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 309.362 |
| logP | 4.6182 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 62.1 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 91.213 |
| Atoms | 42 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 19 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
