Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8171747888
Compound
Show structures
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 | 10 USD | 98 | 15 working days | Get Quote |
| 5 mg | 10 USD | 98 | 15 working days | Get Quote |
| 10 mg | 10 USD | 98 | 15 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-6694291034
- Component type: Main
-
1
MCULE-7654331405
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8171747888.sdf |
| SMILES | MCULE-8171747888.smiles |
| Standard InChI | MCULE-8171747888.inchi |
| InChIKey | MCULE-8171747888.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-616195413 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-905499613 | Bachem | Bachem Products | N/A | As is | in stock |
| P-870584910 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-854829992 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-906791646 | Titan Scientific | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-597026262 | AEchem | Building blocks | 95 | Main component | in stock |
| P-903074440 | Aaron Chemicals LLC | Predominantly Building Block | 98 | Main component | 200 g |
| P-901921586 | BLD pharm | In-stock building blocks | 98 | Main component | 316.375 g |
| P-868629515 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-493673778 | Iris Biotech GmbH | Building Block Library | N/A | Main component | in stock |
| P-854829993 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 555.733 |
| logP | 6.5039 |
| H-bond acceptors | 11 |
| H-bond donors | 6 |
| Rotatable bonds | 13 |
| PSA | 192.08 |
| RO5 violations | 4 |
| RO3 violations | 6 |
| Refractivity | 149.533 |
| Atoms | 83 |
| Rings | 2 |
| Heavy atoms | 38 |
| Hydrogen atoms | 45 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
