Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-7813687322
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 | 20 working days | Get Quote |
| 5 mg | 66 USD | 95 | 7 working days | Get Quote |
| 10 mg | 111 USD | 95 | 7 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-1127778247
- Component type: Main
-
1
MCULE-6572487779
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7813687322.sdf |
| SMILES | MCULE-7813687322.smiles |
| Standard InChI | MCULE-7813687322.inchi |
| InChIKey | MCULE-7813687322.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851784440 | AmBeed | On request | N/A | As is | by synthesis |
| P-860799705 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-869110009 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888628441 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-869288727 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-606833151 | AmBeed | In stock | N/A | Main component | in stock |
| P-596940264 | Angene | Building Blocks in stock | 98 | Main component | 500 mg |
| P-881652915 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-889560006 | AstaTech | In Stock BBs | 98 | Main component | in stock |
| P-860799249 | Chiralstar | Chiralstar Building Blocks | 98 | Main component | in stock |
| P-675214145 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-869156072 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892293575 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-888652736 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 50 mg |
| P-886927446 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 591.122 |
| logP | 4.9125 |
| H-bond acceptors | 11 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 146.11 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 160.633 |
| Atoms | 75 |
| Rings | 4 |
| Heavy atoms | 40 |
| Hydrogen atoms | 35 |
| Heteroatoms | 13 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 | 1 |
| Undefined stereo double bonds | 0 |
