Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9187700768
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 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-9187700768.sdf |
| SMILES | MCULE-9187700768.smiles |
| Standard InChI | MCULE-9187700768.inchi |
| InChIKey | MCULE-9187700768.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867410565 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-869321506 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851900459 | AmBeed | On request | N/A | As is | by synthesis |
| P-591048893 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-577156027 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-861946880 | FluoroChem | General BB | N/A | As is | in stock |
| P-502570498 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-596587336 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-588252745 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-864021083 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-617659671 | Otava | In-House Stock Library | 90 | As is | 140 mg |
| P-617687148 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 140 mg |
| P-19691113 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885517601 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-855216210 | Toronto Research | In stock | 90 | As is | in stock |
| P-2999943 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.072 g |
| P-3226218 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.072 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 239.225 |
| logP | 3.193 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 63.33 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.4043 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
