Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5945024207-0
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 | 46 USD | 98 | 14 working days | Get Quote |
| 5 mg | 46 USD | 98 | 14 working days | Get Quote |
| 10 mg | 78 USD | 98 | 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.
-
1
MCULE-6973870001-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5945024207-0.sdf |
| SMILES | MCULE-5945024207-0.smiles |
| Standard InChI | MCULE-5945024207-0.inchi |
| InChIKey | MCULE-5945024207-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-903090974 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 3 g |
| P-610959938 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.48 g |
| P-860056338 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-590603281 | BLD pharm | In-stock building blocks | 98 | As is | 1.238 g |
| P-871222187 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-861378557 | Combi-Blocks | Building Block on demand | 98 | As is | by synthesis |
| P-579480858 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-500245022 | Diverchim | Diverchim General Catalog | N/A | As is | in stock |
| P-854714579 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-872677020 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-904326408 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 3.2 g |
| P-489174989 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-895955855 | Apollo Scientific | In Stock | 95 | Main component | 10 g |
| P-616203645 | BLD pharm | In-stock building blocks | 98 | Main component | 525 mg |
| P-861482871 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-862139423 | FluoroChem | General BB | N/A | Main component | in stock |
| P-895182981 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-878645419 | Molnova | Stock | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 255.737 |
| logP | -0.7144 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 4 |
| PSA | 84.16 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 66.4932 |
| Atoms | 38 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
