Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6988763752
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 | 7 USD | 95 | 14 working days | Get Quote |
| 5 mg | 7 USD | 95 | 14 working days | Get Quote |
| 10 mg | 7 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-6988763752.sdf |
| SMILES | MCULE-6988763752.smiles |
| Standard InChI | MCULE-6988763752.inchi |
| InChIKey | MCULE-6988763752.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867589136 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875748527 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-881661536 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-588247901 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903079460 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 1000 g |
| P-851943882 | AmBeed | In stock | N/A | As is | in stock |
| P-619151414 | Angene | Building Blocks in stock | 95 | As is | 1000 g |
| P-895930428 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864200916 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-613258132 | BLD pharm | In-stock building blocks | 95 | As is | 61 g |
| P-868611363 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-870662727 | Glentham Life Sciences | Compounds maintained in stock | 95 | As is | in stock |
| P-596571805 | Key Organics | Building Blocks | 97 | As is | 25 g |
| P-31194891 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-856045674 | LaboTest | Building Blocks | 90 | As is | 2 g |
| P-588253502 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852600682 | Matrix Scientific | All | N/A | As is | in stock |
| P-885522866 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-19539125 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22822442 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502366279 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611376276 | Toronto Research | In stock | 90 | As is | in stock |
| P-1283874 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.445 g |
| P-3218857 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.445 g |
| P-868501441 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 320.337 |
| logP | 3.9762 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 77.76 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 91.3873 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 16 |
| 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 |
