Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4969260110
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 | 19 USD | 97 | 20 working days | Get Quote |
| 5 mg | 19 USD | 97 | 20 working days | Get Quote |
| 10 mg | 19 USD | 97 | 20 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-9711164583
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4969260110.sdf |
| SMILES | MCULE-4969260110.smiles |
| Standard InChI | MCULE-4969260110.inchi |
| InChIKey | MCULE-4969260110.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867657520 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-590373696 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606876092 | AmBeed | In stock | N/A | As is | in stock |
| P-596971487 | Angene | Building Blocks in stock | 97 | As is | 175 g |
| P-864158268 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893236764 | Biosynth | In Stock | 95 | As is | in stock |
| P-892259359 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892341641 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-855346765 | Toronto Research | In stock | 90 | As is | in stock |
| P-867559616 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-869186045 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-505352526 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-867732325 | AmBeed | On request | N/A | Main component | by synthesis |
| P-596944779 | Angene | Building Blocks in stock | 98 | Main component | 5 g |
| P-893255648 | Biosynth | Synthesis | 95 | Main component | by synthesis |
| P-675214529 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-890851212 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-881187949 | Otava | In-House Stock Library | 90 | Main component | 450 mg |
| P-869120842 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892289595 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-888635586 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 46 mg |
| P-886924563 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| P-893166409 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 503.521 |
| logP | 2.1478 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 152.13 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 121.4561 |
| Atoms | 61 |
| Rings | 2 |
| Heavy atoms | 34 |
| Hydrogen atoms | 27 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 1 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
