Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9397415946-1
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 | 6 USD | N/A | 9 working days | Get Quote |
| 5 mg | 6 USD | N/A | 9 working days | Get Quote |
| 10 mg | 6 USD | N/A | 9 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.
-
MCULE-7794252065-0
- Component type: Main
-
MCULE-4983552708-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9397415946-1.sdf |
| SMILES | MCULE-9397415946-1.smiles |
| Standard InChI | MCULE-9397415946-1.inchi |
| InChIKey | MCULE-9397415946-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869192781 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-881661650 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-590372370 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-505392702 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
| P-851722088 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-851731996 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-606915233 | AmBeed | In stock | N/A | As a main component | in stock |
| P-619183578 | Angene | Building Blocks in stock | 98 | As a main component | 500 g |
| P-596944094 | Angene | Building Blocks in stock | 95 | As a main component | 7.5 kg |
| P-864198435 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-889791491 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-893235988 | Biosynth | In Stock | 95 | As a main component | in stock |
| P-500417980 | Glentham Life Sciences | Compounds maintained in stock | 99 | As a main component | in stock |
| P-608220774 | Glentham Life Sciences | Compounds maintained in stock | 99 | As a main component | in stock |
| P-855919141 | Key Organics | Building Blocks | 97 | As a main component | 100 g |
| P-881189687 | Otava | In-House Stock Library | 90 | As a main component | 200 mg |
| P-885540685 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-885559488 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-594273709 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-892295318 | TargetMol | In Stock BB | 95 | As a main component | 1.003 g |
| P-892337719 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 1.003 g |
| P-611511831 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-611511832 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-611561377 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-855366030 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 111.118 |
| logP | -0.1314 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 29.8375 |
| Atoms | 15 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 7 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
