Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9787977987
Compound
Show structures
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 | 12 USD | N/A | 22 working days | Get Quote |
| 5 mg | 12 USD | N/A | 22 working days | Get Quote |
| 10 mg | 12 USD | N/A | 22 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-9665038741
- Component type: Main
-
1
MCULE-2809467532
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9787977987.sdf |
| SMILES | MCULE-9787977987.smiles |
| Standard InChI | MCULE-9787977987.inchi |
| InChIKey | MCULE-9787977987.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852196179 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-855297312 | Toronto Research | In stock | 90 | As is | in stock |
| P-867538887 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875695241 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-597024834 | AEchem | Building blocks | 98 | Main component | in stock |
| P-887313641 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-580239319 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
| P-34871961 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-436446654 | Alinda | Building Blocks | 95 | Main component | in stock |
| P-889476312 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-454639511 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-861987043 | FluoroChem | General BB | 98 | Main component | in stock |
| P-492242409 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-454402677 | Key Organics | Building Blocks | 97 | Main component | 269.31 g |
| P-524200405 | Key Organics | Building Blocks | 95 | Main component | 250 mg |
| P-31162342 | LaboTest | Screening Collection | 90 | Main component | unavailable |
| P-613281267 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-580513480 | Manchester Organics | Stock compounds | 95 | Main component | 998 g |
| P-852392851 | Matrix Scientific | All | N/A | Main component | in stock |
| P-584617910 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-492286216 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 5.098 g |
| P-13018595 | Otava | In-House Stock Library | 90 | Main component | 5.098 g |
| P-500404838 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-856063797 | Princeton Biomolecular Research | Building Block Stock | 95 | Main component | 11.54 g |
| P-424808561 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-12630193 | Specs | Screening Compounds | 90 | Main component | 168 mg |
| P-22647247 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-502385054 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-888439055 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-3241515 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | Main component | 6.134 g |
| P-650851 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 6.134 g |
| P-464678590 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 6.134 g |
| P-855297309 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 280.144 |
| logP | 0.32 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 65.97 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 68.1849 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
