Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1258858376
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 | 34 USD | 90 | 23 working days | Get Quote |
| 5 mg | 36 USD | 90 | 21 working days | Get Quote |
| 10 mg | 41 USD | 90 | 21 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-1258858376.sdf |
| SMILES | MCULE-1258858376.smiles |
| Standard InChI | MCULE-1258858376.inchi |
| InChIKey | MCULE-1258858376.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867315775 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-904590447 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851492608 | AmBeed | On request | N/A | As is | by synthesis |
| P-590855894 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-901555095 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-3931217 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-619932475 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-34853672 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | As is | in stock |
| P-569189806 | Eximed | In-stock screening compounds | 90 | As is | in stock |
| P-569433411 | Eximed | Building Block Catalog | 95 | As is | 740 mg |
| P-502966784 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492246494 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-852433186 | Matrix Scientific | All | N/A | As is | in stock |
| P-895715655 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-34031312 | Otava | In-House Stock Library | 90 | As is | 740 mg |
| P-492280558 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 740 mg |
| P-856065302 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 940 mg |
| P-19518623 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-888595672 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.158 |
| logP | 1.9461 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.431 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
