Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2666852639
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-2666852639.sdf |
| SMILES | MCULE-2666852639.smiles |
| Standard InChI | MCULE-2666852639.inchi |
| InChIKey | MCULE-2666852639.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-615720842 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-19961742 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436455369 | Alinda | Building Blocks | 95 | As is | 10 g |
| P-851498216 | AmBeed | On request | N/A | As is | by synthesis |
| P-869737308 | Asinex | General screening catalog | 90 | As is | 250 mg |
| P-563011211 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-454704309 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-34502249 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-862038360 | FluoroChem | General BB | 95 | As is | in stock |
| P-502444640 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503871026 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-596591223 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-23917297 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885526233 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22817630 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-888434076 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-888515810 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611459365 | Toronto Research | In stock | 90 | As is | in stock |
| P-3236616 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.637 g |
| P-1378962 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.637 g |
| P-893662990 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 265.356 |
| logP | 2.421 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 102.76 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 78.063 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
