Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8586788029
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 | 36 USD | 95 | 10 working days | Get Quote |
| 5 mg | 36 USD | 95 | 10 working days | Get Quote |
| 10 mg | 36 USD | 95 | 10 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.
-
2
MCULE-1145230128
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8586788029.sdf |
| SMILES | MCULE-8586788029.smiles |
| Standard InChI | MCULE-8586788029.inchi |
| InChIKey | MCULE-8586788029.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-619304112 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
| P-675103835 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-873216164 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-617777243 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 116 mg |
| P-867641293 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875807235 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-894615780 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851670962 | AmBeed | On request | N/A | Main component | by synthesis |
| P-889829066 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-611183790 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-492253991 | ChemBridge | Building Block Library | 95 | Main component | in stock |
| P-4146252 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 50 mg |
| P-454689134 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-861377389 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-580378404 | Debye Scientific | General Catalog | N/A | Main component | by resynthesis (? - ? days) |
| P-862039995 | FluoroChem | General BB | N/A | Main component | in stock |
| P-855948989 | Key Organics | Building Blocks | 95 | Main component | 1000 mg |
| P-864001216 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-611586775 | Toronto Research | In stock | 90 | Main component | in stock |
| P-893675778 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| P-861296477 | Crea-Chim | HTS compounds | 90 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 476.508 |
| logP | 4.9254 |
| H-bond acceptors | 12 |
| H-bond donors | 6 |
| Rotatable bonds | 4 |
| PSA | 210.84 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 124.0618 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 24 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| 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 |
