Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8961040330
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 | 39 USD | 95 | 9 working days | Get Quote |
| 5 mg | 59 USD | 98 | 22 working days | Get Quote |
| 10 mg | 99 USD | N/A | 9 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-2240279896
- Component type: Main
-
1
MCULE-6572487779
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8961040330.sdf |
| SMILES | MCULE-8961040330.smiles |
| Standard InChI | MCULE-8961040330.inchi |
| InChIKey | MCULE-8961040330.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-613853848 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893605545 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 700 mg |
| P-896061200 | AmBeed | In stock | N/A | As is | in stock |
| P-868544582 | Axon Medchem | Axon predominantly SC catalog | 100 | As is | in stock |
| P-887189415 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-863723207 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-888173289 | Molnova | On demand | 98 | As is | by synthesis |
| P-869116414 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892288290 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888631969 | TargetMol | Screening Compounds - stock amount | 95 | As is | 69 mg |
| P-890140068 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-893605544 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 5 mg |
| P-851833833 | AmBeed | On request | N/A | Main component | by synthesis |
| P-895093585 | Angene | Building Blocks in stock | N/A | Main component | 5 mg |
| P-864133304 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-591113372 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
| P-851297288 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-896627832 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-854718963 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-878642919 | Molnova | Stock | 98 | Main component | in stock |
| P-869116413 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-888631968 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-855299266 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 512.461 |
| logP | 3.2446 |
| H-bond acceptors | 10 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 164.2 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 121.6725 |
| Atoms | 54 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 19 |
| Heteroatoms | 14 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
