Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3158547440-0
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-3158547440-0.sdf |
| SMILES | MCULE-3158547440-0.smiles |
| Standard InChI | MCULE-3158547440-0.inchi |
| InChIKey | MCULE-3158547440-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892854163 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-889905383 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-590384947 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-19988219 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851828609 | AmBeed | On request | N/A | As is | by synthesis |
| P-489150312 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-591144368 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-4475927 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-3446554 | ChemDiv | Discovery Chemistry Library | 90 | As is | 29 mg |
| P-5610 | Chemical Block | Screening Library | 90 | As is | 9 mg |
| P-868561691 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34745641 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-862028560 | FluoroChem | General BB | 95 | As is | in stock |
| P-502762571 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-855932545 | Key Organics | Building Blocks | 97 | As is | 100 g |
| P-864071002 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-18966451 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22451102 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 178 mg |
| P-611427688 | Toronto Research | In stock | 90 | As is | in stock |
| P-592226 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.297 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 304.181 |
| logP | 4.3912 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 78.2882 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
