Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4583121675
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 67 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.
| Name | File |
|---|---|
| SDF | MCULE-4583121675.sdf |
| SMILES | MCULE-4583121675.smiles |
| Standard InChI | MCULE-4583121675.inchi |
| InChIKey | MCULE-4583121675.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852097339 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-615711132 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851647323 | AmBeed | On request | N/A | As is | by synthesis |
| P-596292155 | Asinex | General screening catalog | 90 | As is | 35 mg |
| P-3811158 | ChemDiv | Discovery Chemistry Library | 90 | As is | 13 mg |
| P-502725483 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502444652 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-12428929 | InterBioScreen | Screening Compounds | 92 | As is | 77 mg |
| P-454377640 | Key Organics | Building Blocks | 95 | As is | 251 mg |
| P-18690262 | Key Organics | Screening Compounds and Fragments | 95 | As is | 251 mg |
| P-13777650 | Pharmeks LLC | Synthetic compounds | 92 | As is | 90 mg |
| P-13991422 | Pharmeks LLC | Synthetic compounds | 92 | As is | 77 mg |
| P-520081248 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-23328073 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502407657 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-873064836 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-873072842 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855221738 | Toronto Research | In stock | 90 | As is | in stock |
| P-2056360 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 16 mg |
| P-24818992 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 476 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 250.233 |
| logP | 2.7178 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 120.78 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.6178 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 6 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
