Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9183319653
Compound
Show structures
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 | 5 USD | 95 | 9 working days | Get Quote |
| 5 mg | 5 USD | 95 | 9 working days | Get Quote |
| 10 mg | 5 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-9183319653.sdf |
| SMILES | MCULE-9183319653.smiles |
| Standard InChI | MCULE-9183319653.inchi |
| InChIKey | MCULE-9183319653.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867638769 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875804402 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869194923 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505400087 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-675240080 | Allbio Pharm | In stock | N/A | As is | in stock |
| P-606836116 | AmBeed | In stock | N/A | As is | in stock |
| P-596968344 | Angene | Building Blocks in stock | 95 | As is | 1.03275 kg |
| P-864145558 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580698587 | BLD pharm | In-stock building blocks | 95 | As is | 111.5 g |
| P-851314111 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868621799 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-889282706 | FluoroChem | General BB | N/A | As is | in stock |
| P-675217293 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524169292 | Key Organics | Building Blocks | 97 | As is | in stock |
| P-579625590 | LabSeeker, Inc | Stock Collection | 97 | As is | in stock |
| P-862530494 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-854752000 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-500412215 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-491119019 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873284979 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-596791985 | Synthonix | In-stock Building Blocks | 95 | As is | 3.01138 kg |
| P-855007504 | Toronto Research | In stock | 90 | As is | in stock |
| P-886966215 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 404.416 |
| logP | -2.702 |
| H-bond acceptors | 12 |
| H-bond donors | 4 |
| Rotatable bonds | 8 |
| PSA | 162.16 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 111.2432 |
| Atoms | 56 |
| Rings | 1 |
| Heavy atoms | 28 |
| Hydrogen atoms | 28 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |
