Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5071164478
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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-2273600120
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5071164478.sdf |
| SMILES | MCULE-5071164478.smiles |
| Standard InChI | MCULE-5071164478.inchi |
| InChIKey | MCULE-5071164478.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-855943700 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-524192476 | Key Organics | Building Blocks | 97 | As is | 25 g |
| P-856007760 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-895637866 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-889883709 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502327073 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22466532 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 350 mg |
| P-875834003 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-597026530 | AEchem | Building blocks | 95 | Main component | in stock |
| P-590379420 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-606872434 | AmBeed | In stock | N/A | Main component | in stock |
| P-619165509 | Angene | Building Blocks in stock | 98 | Main component | 5 kg |
| P-579785157 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-864089126 | AstaTech | In Stock BBs | 97 | Main component | in stock |
| P-580727742 | BLD pharm | In-stock building blocks | 97 | Main component | 755 g |
| P-851246154 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868556016 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-580275295 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-870646921 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
| P-870646922 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
| P-870654004 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
| P-524164747 | Key Organics | Building Blocks | 98 | Main component | 100 g |
| P-563466890 | Key Organics | Building Blocks | 97 | Main component | 100 g |
| P-454414700 | Key Organics | Building Blocks | 97 | Main component | 2.987 g |
| P-856005898 | Key Organics | Screening Compounds and Fragments | 98 | Main component | 100 mg |
| P-454344845 | Key Organics | Screening Compounds and Fragments | 97 | Main component | 2.987 g |
| P-856006566 | Key Organics | Screening Compounds and Fragments | 97 | Main component | 100 mg |
| P-31248995 | LaboTest | Screening Collection | 90 | Main component | unavailable |
| P-580503142 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-852521932 | Matrix Scientific | All | N/A | Main component | in stock |
| P-500402691 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-885547681 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-892263450 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892344765 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-893994183 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| P-893990762 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 246.646 |
| logP | 2.5747 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 109.14 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 61.2882 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
