Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3721465696
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 | 5 USD | 98 | 9 working days | Get Quote |
| 5 mg | 5 USD | 98 | 9 working days | Get Quote |
| 10 mg | 5 USD | 98 | 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-3721465696.sdf |
| SMILES | MCULE-3721465696.smiles |
| Standard InChI | MCULE-3721465696.inchi |
| InChIKey | MCULE-3721465696.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867558049 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875717428 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-425204284 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606875744 | AmBeed | In stock | N/A | As is | in stock |
| P-489158357 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596944132 | Angene | Building Blocks in stock | 98 | As is | 5.725 kg |
| P-864126335 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580703711 | BLD pharm | In-stock building blocks | 98 | As is | 25 g |
| P-4239904 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-3287320 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1.189 g |
| P-28756 | Chemical Block | Screening Library | 90 | As is | 111 mg |
| P-851284151 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868604240 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-34742596 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580272910 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862019053 | FluoroChem | General BB | N/A | As is | in stock |
| P-505495875 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-855926484 | Key Organics | Building Blocks | 97 | As is | 500 g |
| P-856028772 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-611664559 | Manchester Organics | Compounds on demand | 98 | As is | by synthesis |
| P-35208807 | Maybridge | Screening Collection | 90 | As is | 4.443 kg |
| P-854738121 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-19433963 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889870402 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-33449448 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-611372831 | Toronto Research | In stock | 90 | As is | in stock |
| P-25057983 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 139 mg |
| P-886948602 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 292.331 |
| logP | 5.598 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 70.5 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 88.2828 |
| Atoms | 38 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 16 |
| 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 |
