Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3006799155
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 | 27 USD | 98 | 16 working days | Get Quote |
| 5 mg | 43 USD | 98 | 16 working days | Get Quote |
| 10 mg | 65 USD | 98 | 16 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.
-
2
MCULE-4568675804
- Component type: Main
-
1
MCULE-3549142744
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3006799155.sdf |
| SMILES | MCULE-3006799155.smiles |
| Standard InChI | MCULE-3006799155.inchi |
| InChIKey | MCULE-3006799155.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-871075404 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-875777910 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-875896708 | Allbio Pharm | In stock | N/A | Main component | in stock |
| P-489173474 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-580720730 | BLD pharm | In-stock building blocks | 98 | Main component | 790 mg |
| P-851268631 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-861490483 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-579479606 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
| P-854716573 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-474026737 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-608270657 | Molnova | Stock | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 1149.259 |
| logP | 13.133 |
| H-bond acceptors | 20 |
| H-bond donors | 4 |
| Rotatable bonds | 22 |
| PSA | 198.86 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 309.6192 |
| Atoms | 156 |
| Rings | 8 |
| Heavy atoms | 82 |
| Hydrogen atoms | 74 |
| Heteroatoms | 20 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
