Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1577354069
Compound
Show structures
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 | 50 USD | 90 | 21 working days | Get Quote |
| 5 mg | 77 USD | 90 | 30 working days | Get Quote |
| 10 mg | 90 USD | 90 | 30 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-1577354069.sdf |
| SMILES | MCULE-1577354069.smiles |
| Standard InChI | MCULE-1577354069.inchi |
| InChIKey | MCULE-1577354069.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612862323 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-904505859 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851791809 | AmBeed | On request | N/A | As is | by synthesis |
| P-611083276 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-868569620 | Combi-Blocks | Building Block in stock | N/A | As is | in stock |
| P-579525189 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 10 mg |
| P-502469058 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502929153 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-855946403 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-874439054 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-617698116 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 195 mg |
| P-12834776 | Otava | In-House Stock Library | 90 | As is | 195 mg |
| P-859990462 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-19787930 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-454128563 | Specs | Screening Compounds | 90 | As is | unavailable |
| P-23338348 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-855220472 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 247.318 |
| logP | 2.534 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 97.07 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 70.4361 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| 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 |
