Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2788535708
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 | 14 USD | 98 | 14 working days | Get Quote |
| 5 mg | 14 USD | 98 | 14 working days | Get Quote |
| 10 mg | 14 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-2100574071
- Component type: Main
-
1
MCULE-1176533515
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2788535708.sdf |
| SMILES | MCULE-2788535708.smiles |
| Standard InChI | MCULE-2788535708.inchi |
| InChIKey | MCULE-2788535708.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-903113831 | Aaron Chemicals LLC | Predominantly Building Block | 99 | As is | 4 g |
| P-893568990 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 6 g |
| P-893297860 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-893297877 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-851315809 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-903005479 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-579480887 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-854721729 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474025276 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-579712564 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
| P-589631555 | Selleck Biotechnology GmbH | Epigenetics | N/A | As is | in stock |
| P-873278970 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-903058922 | Aaron Chemicals LLC | Predominantly Building Block | 98 | Main component | 3.51 g |
| P-610963553 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 66.289 g |
| P-489158748 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-893297972 | AvaChem Scientific | On demand | 95 | Main component | by synthesis |
| P-893297981 | AvaChem Scientific | On demand | 95 | Main component | by synthesis |
| P-851259849 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868629859 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-608112527 | LabSeeker, Inc | Stock Collection | 97 | Main component | in stock |
| P-852530813 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854711779 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-896628073 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-474025274 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-608269734 | Molnova | Stock | 98 | Main component | in stock |
| P-589631427 | Selleck Biotechnology GmbH | Epigenetics | N/A | Main component | in stock |
| P-579711207 | Selleck Biotechnology GmbH | Product Catalog | N/A | Main component | in stock |
| P-903113830 | Aaron Chemicals LLC | Predominantly Building Block | 98 | Main component as a main component | 2 g |
| P-489177380 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-590945873 | BLD pharm | Non-stock building blocks | 97 | Main component as a main component | by synthesis |
| P-887184709 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-579481220 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
| P-854712564 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
| P-474025275 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 492.591 |
| logP | 5.943 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 135.69 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 139.2284 |
| Atoms | 63 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 28 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
