Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8020664991
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 | 5 USD | 98 | 8 working days | Get Quote |
| 5 mg | 5 USD | 98 | 8 working days | Get Quote |
| 10 mg | 5 USD | 98 | 8 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-8020664991.sdf |
| SMILES | MCULE-8020664991.smiles |
| Standard InChI | MCULE-8020664991.inchi |
| InChIKey | MCULE-8020664991.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867621522 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875783761 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590369877 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-610975809 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.27452 kg |
| P-851945002 | AmBeed | In stock | N/A | As is | in stock |
| P-619157448 | Angene | Building Blocks in stock | 98 | As is | 36.09 g |
| P-895938748 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864131707 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-613260785 | BLD pharm | In-stock building blocks | 98 | As is | 1000 mg |
| P-868605937 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-870647662 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-870647783 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-563561134 | Key Organics | Building Blocks | 95 | As is | 5 g |
| P-524168793 | Key Organics | Building Blocks | 98 | As is | 10 g |
| P-524168800 | Key Organics | Building Blocks | 98 | As is | 25 g |
| P-856006298 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-856006299 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-31248729 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-855396576 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-885537576 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611445862 | Toronto Research | In stock | 90 | As is | in stock |
| P-893937019 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 353.410 |
| logP | 4.5594 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 99.5925 |
| Atoms | 49 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 23 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
