Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1583317615
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 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 17 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-1583317615.sdf |
| SMILES | MCULE-1583317615.smiles |
| Standard InChI | MCULE-1583317615.inchi |
| InChIKey | MCULE-1583317615.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875846348 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869245539 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851611573 | AmBeed | On request | N/A | As is | by synthesis |
| P-596999220 | Angene | Building Blocks in stock | 95 | As is | 74.59 g |
| P-864160606 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590837717 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-504695205 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
| P-3849131 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-584560901 | ChemDiv | Discovery Chemistry Library | 90 | As is | 15 mg |
| P-224186 | Chemical Block | Screening Library | 90 | As is | 19 mg |
| P-861338787 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34697336 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-675513753 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-675477551 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-563668312 | Key Organics | Building Blocks | 95 | As is | 50 mg |
| P-615643397 | LabNetwork | In stock | 95 | As is | in stock |
| P-579632940 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-525288495 | Life Chemicals | Building Blocks | 95 | As is | 888 mg |
| P-601050308 | Life Chemicals | Screening Compounds | 90 | As is | 888 mg |
| P-423444482 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-492273944 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-18881773 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-856066485 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1000 mg |
| P-22597533 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-611589933 | Toronto Research | In stock | 90 | As is | in stock |
| P-2133597 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 52 mg |
| P-615416200 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.183 |
| logP | 1.3011 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 55.76 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.6978 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
