Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7430774669-2
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 | 31 USD | 99 | 19 working days | Get Quote |
| 5 mg | 31 USD | 99 | 19 working days | Get Quote |
| 10 mg | 31 USD | 99 | 19 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-4644073142-2
- Component type: Main
-
2
MCULE-8295936189-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7430774669-2.sdf |
| SMILES | MCULE-7430774669-2.smiles |
| Standard InChI | MCULE-7430774669-2.inchi |
| InChIKey | MCULE-7430774669-2.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505404509 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-895929056 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-888170946 | Molnova | On demand | 98 | As is | by synthesis |
| P-535624460 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-893223735 | Biosynth | In Stock | 95 | Main component | in stock |
| P-579616485 | LabSeeker, Inc | Stock Collection | 98 | Main component | in stock |
| P-855315002 | Toronto Research | In stock | 90 | Main component | in stock |
| P-489182839 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-489161241 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-580194566 | Apexbio Technology | Bioactive Compound Library | 98 | Main component as a main component | in stock |
| P-895929057 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-893225317 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-893263222 | Biosynth | Synthesis | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 625.548 |
| logP | 6.4656 |
| H-bond acceptors | 14 |
| H-bond donors | 8 |
| Rotatable bonds | 13 |
| PSA | 252.18 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 170.4266 |
| Atoms | 80 |
| Rings | 2 |
| Heavy atoms | 42 |
| Hydrogen atoms | 38 |
| Heteroatoms | 16 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 4 |
| Cis/trans stereo double bonds | 4 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
