Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-7041244090-0
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 | 5 USD | 99 | 16 working days | Get Quote |
| 5 mg | 8 USD | N/A | 14 working days | Get Quote |
| 10 mg | 10 USD | N/A | 14 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-8634573802-0
- Component type: Main
-
1
MCULE-7981253226-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7041244090-0.sdf |
| SMILES | MCULE-7041244090-0.smiles |
| Standard InChI | MCULE-7041244090-0.inchi |
| InChIKey | MCULE-7041244090-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867635852 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875800795 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869180808 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505399673 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606861845 | AmBeed | In stock | N/A | As is | in stock |
| P-864120079 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868544553 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-505538228 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-500409997 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-888642024 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869130110 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-886949688 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
| P-881670213 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-505397390 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-606867093 | AmBeed | In stock | N/A | Main component | in stock |
| P-851653738 | AmBeed | On request | N/A | Main component | by synthesis |
| P-864105638 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-868543812 | Axon Medchem | Axon predominantly SC catalog | 99 | Main component | in stock |
| P-860797917 | Chiralstar | Chiralstar Building Blocks | 98 | Main component | in stock |
| P-505528232 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-890851623 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-890850107 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-500168946 | J&W Pharmlab | In-stock compounds | 96 | Main component | in stock |
| P-881188550 | Otava | In-House Stock Library | 90 | Main component | 50 mg |
| P-500409968 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-590489744 | Specs | Screening Compounds | 90 | Main component | 70 mg |
| P-888646565 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-888657466 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869140649 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| P-869162075 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| P-886923348 | eNovation Chemicals LLC | Building Block on demand | 96 | Main component | by synthesis |
| P-575324462 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 504.493 |
| logP | 0.23418 |
| H-bond acceptors | 14 |
| H-bond donors | 5 |
| Rotatable bonds | 9 |
| PSA | 221.04 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 128.6689 |
| Atoms | 64 |
| Rings | 3 |
| Heavy atoms | 36 |
| Hydrogen atoms | 28 |
| Heteroatoms | 14 |
| N/O atoms | 14 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
