Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2705967205-1
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 | 5 USD | 95 | 22 working days | Get Quote |
| 5 mg | 8 USD | 95 | 22 working days | Get Quote |
| 10 mg | 8 USD | 95 | 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-7002606160-1
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2705967205-1.sdf |
| SMILES | MCULE-2705967205-1.smiles |
| Standard InChI | MCULE-2705967205-1.inchi |
| InChIKey | MCULE-2705967205-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872810682 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-851685612 | AmBeed | On request | N/A | As is | by synthesis |
| P-611576754 | Toronto Research | In stock | 90 | As is | in stock |
| P-867560346 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-867578294 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-872828494 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-590417377 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-881670315 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-869288459 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-881624179 | AmBeed | On request | N/A | Main component | by synthesis |
| P-851954654 | AmBeed | In stock | N/A | Main component | in stock |
| P-881096020 | Angene | Building Blocks in stock | 98 | Main component | 10 mg |
| P-889521716 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-864204312 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-864152641 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-893262207 | Biosynth | Synthesis | 95 | Main component | by synthesis |
| P-889434971 | FluoroChem | General BB | 95 | Main component | in stock |
| P-887362554 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-856009790 | Key Organics | Biochemicals | 95 | Main component | 4.91 g |
| P-873242016 | Key Organics | Building Blocks | 97 | Main component | 5 mg |
| P-869109514 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-869159039 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-594273679 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892287272 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-892295284 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-888628111 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 100 mg |
| P-892337682 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 200 mg |
| P-888654695 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 2.231 g |
| P-611349165 | Toronto Research | In stock | 90 | Main component | in stock |
| P-611349205 | Toronto Research | In stock | 90 | Main component | in stock |
| P-855052475 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 174.583 |
| logP | 1.3095 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.2225 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
