Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3591905032-0
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 | 31 USD | 95 | 15 working days | Get Quote |
| 5 mg | 31 USD | 95 | 15 working days | Get Quote |
| 10 mg | 31 USD | 95 | 15 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-3591905032-0.sdf |
| SMILES | MCULE-3591905032-0.smiles |
| Standard InChI | MCULE-3591905032-0.inchi |
| InChIKey | MCULE-3591905032-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875816443 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-613847722 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893584035 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 98 g |
| P-19930839 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436449706 | Alinda | Building Blocks | 95 | As is | in stock |
| P-872942789 | AmBeed | In stock | N/A | As is | in stock |
| P-873296701 | Angene | Building Blocks in stock | 95 | As is | 1000 mg |
| P-889791161 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-872931805 | BLD pharm | In-stock building blocks | 95 | As is | 500 mg |
| P-492270577 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-427972402 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-454701579 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-861536037 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34833760 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-862044098 | FluoroChem | General BB | 95 | As is | in stock |
| P-492235898 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502932462 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-596589500 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-852399742 | Matrix Scientific | All | N/A | As is | in stock |
| P-854922294 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-23895823 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885524867 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22809005 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-873218937 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888576273 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611606444 | Toronto Research | In stock | 90 | As is | in stock |
| P-3231494 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 567 mg |
| P-25618876 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 567 mg |
| P-872756852 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 221.252 |
| logP | 2.1253 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 66.4 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 61.9135 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 15 |
| 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 |
