Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1227587238
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 | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 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-3007614195
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1227587238.sdf |
| SMILES | MCULE-1227587238.smiles |
| Standard InChI | MCULE-1227587238.inchi |
| InChIKey | MCULE-1227587238.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867430311 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-612942337 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851873905 | AmBeed | On request | N/A | Main component | by synthesis |
| P-596387023 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
| P-596513700 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
| P-591132651 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-666902173 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 25 mg |
| P-502543829 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-503626429 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
| P-12403226 | InterBioScreen | Screening Compounds | 92 | Main component | 187 mg |
| P-852383869 | Matrix Scientific | All | N/A | Main component | in stock |
| P-864018701 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-639839109 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
| P-579249144 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-453937988 | Specs | Screening Compounds | 90 | Main component | 14 mg |
| P-502348918 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-24818785 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 30 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 291.704 |
| logP | 1.771 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 69.23 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 68.3127 |
| Atoms | 34 |
| Rings | 1 |
| Heavy atoms | 19 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| 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 |
