Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8981574452
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 | 9 USD | 97 | 20 working days | Get Quote |
| 5 mg | 9 USD | 97 | 20 working days | Get Quote |
| 10 mg | 9 USD | 97 | 20 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-8981574452.sdf |
| SMILES | MCULE-8981574452.smiles |
| Standard InChI | MCULE-8981574452.inchi |
| InChIKey | MCULE-8981574452.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867641681 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875807624 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505401191 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606926414 | AmBeed | In stock | N/A | As is | in stock |
| P-596985527 | Angene | Building Blocks in stock | 97 | As is | 61.5 g |
| P-864175826 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-608390617 | BLD pharm | In-stock building blocks | 97 | As is | 10.5 g |
| P-504807972 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-871216575 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868604500 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-862053409 | FluoroChem | General BB | N/A | As is | in stock |
| P-13453504 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-524161350 | Key Organics | Building Blocks | 98 | As is | 1000 mg |
| P-854754782 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-23789281 | Pharmeks LLC | Synthetic compounds | 92 | As is | in stock |
| P-520023028 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889880999 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611365579 | Toronto Research | In stock | 90 | As is | in stock |
| P-2157757 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 10 mg |
| P-886952355 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 238.287 |
| logP | 2.1762 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 35.64 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.51 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
