Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4580888649
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 | 6 USD | N/A | 14 working days | Get Quote |
| 5 mg | 6 USD | N/A | 14 working days | Get Quote |
| 10 mg | 6 USD | N/A | 14 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-2395659873
- Component type: Main
-
2
MCULE-7654331405
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4580888649.sdf |
| SMILES | MCULE-4580888649.smiles |
| Standard InChI | MCULE-4580888649.inchi |
| InChIKey | MCULE-4580888649.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-890137281 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-616216920 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-619135112 | Angene | Building Blocks in stock | 95 | As is | 10 g |
| P-889462673 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-855093186 | Toronto Research | In stock | 90 | As is | in stock |
| P-666976470 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-535625595 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-505351365 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-606861132 | AmBeed | In stock | N/A | Main component | in stock |
| P-881654411 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-864153027 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-861285874 | Chiralstar | Chiralstar Building Blocks | 95 | Main component | in stock |
| P-580418409 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-675216898 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-500382009 | Pi Chemicals | Virtual Compounds | 95 | Main component | by synthesis |
| P-869175878 | TargetMol | Natural Products | 95 | Main component | 23.671 g |
| P-611348704 | Toronto Research | In stock | 90 | Main component | in stock |
| P-886891390 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component | in stock |
| P-867553965 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-867645773 | A2B Chem | Predominantly Building Block in stock | 97 | Main component as a main component | in stock |
| P-889916196 | AA Blocks | AA Blocks - synthesis | N/A | Main component as a main component | by synthesis |
| P-875707953 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875712400 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875812646 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-616209738 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-616216431 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-869356059 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-853435917 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-851413957 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-851442306 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-868962334 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-851944727 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-851945398 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-851948947 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-619139646 | Angene | Building Blocks in stock | 97 | Main component as a main component | 45 g |
| P-865923414 | Angene | Building Blocks in stock | 97 | Main component as a main component | 47.5 g |
| P-865915056 | Angene | Building Blocks in stock | 98 | Main component as a main component | 5.5 g |
| P-619140795 | Angene | Building Blocks in stock | 90 | Main component as a main component | 100 g |
| P-889775979 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864132207 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864182400 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-864098428 | AstaTech | In Stock BBs | 98 | Main component as a main component | in stock |
| P-864098467 | AstaTech | In Stock BBs | 98 | Main component as a main component | in stock |
| P-861285889 | Chiralstar | Chiralstar Building Blocks | 95 | Main component as a main component | in stock |
| P-675216479 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-675216480 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-675216894 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-873226929 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| P-855089265 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-666968530 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component as a main component | in stock |
| P-666981702 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 625.550 |
| logP | 0.8336 |
| H-bond acceptors | 17 |
| H-bond donors | 6 |
| Rotatable bonds | 6 |
| PSA | 313.16 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 147.044 |
| Atoms | 82 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 41 |
| Heteroatoms | 19 |
| N/O atoms | 17 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
