Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2538801181
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 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.
-
1
MCULE-5326748867
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2538801181.sdf |
| SMILES | MCULE-2538801181.smiles |
| Standard InChI | MCULE-2538801181.inchi |
| InChIKey | MCULE-2538801181.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-584597615 | Alinda | Building Blocks | 95 | As is | 5 g |
| P-617325855 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851534017 | AmBeed | On request | N/A | As is | by synthesis |
| P-590876185 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-861531944 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580758264 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-862073460 | FluoroChem | General BB | N/A | As is | in stock |
| P-852396605 | Matrix Scientific | All | N/A | As is | in stock |
| P-855354647 | Toronto Research | In stock | 90 | As is | in stock |
| P-619934184 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
| P-895677655 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-885524763 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-23895211 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-873220875 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-888577750 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-1435724 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 781 mg |
| P-3231159 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 781 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 207.696 |
| logP | 1.7888 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 40.54 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 58.8108 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
