Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7747392027-0
Structure
Show compound
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 | 95 USD | 97 | 22 working days | Get Quote |
| 5 mg | 95 USD | 97 | 22 working days | Get Quote |
| 10 mg | 95 USD | 97 | 22 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-5162647275-0
- Component type: Main
-
1
MCULE-2361956978-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7747392027-0.sdf |
| SMILES | MCULE-7747392027-0.smiles |
| Standard InChI | MCULE-7747392027-0.inchi |
| InChIKey | MCULE-7747392027-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-866719725 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-869030316 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-867655784 | A2B Chem | Predominantly Building Block in stock | 97 | Main component | in stock |
| P-875823959 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869318040 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-893444287 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 7.9 g |
| P-606871683 | AmBeed | In stock | N/A | Main component | in stock |
| P-865925146 | Angene | Building Blocks in stock | 97 | Main component | 5.9 g |
| P-864193732 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-590633305 | BLD pharm | In-stock building blocks | 97 | Main component | 2.47 g |
| P-861430698 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-862145713 | FluoroChem | General BB | 97 | Main component | in stock |
| P-855924032 | Key Organics | Building Blocks | 97 | Main component | 100 mg |
| P-854807080 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-888894492 | PharmaBlock | In stock | N/A | Main component | in stock |
| P-596791093 | Synthonix | In-stock Building Blocks | 97 | Main component | 7 g |
| P-893992736 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 233.165 |
| logP | 3.3447 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 51.8 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.1644 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 7 |
| Heteroatoms | 7 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
