Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1329225872-1
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 | 13 USD | 97 | 11 working days | Get Quote |
| 5 mg | 13 USD | 97 | 11 working days | Get Quote |
| 10 mg | 13 USD | 97 | 11 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.
-
MCULE-6008399337-1
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1329225872-1.sdf |
| SMILES | MCULE-1329225872-1.smiles |
| Standard InChI | MCULE-1329225872-1.inchi |
| InChIKey | MCULE-1329225872-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-34856427 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | As is | in stock |
| P-868619606 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-889438605 | FluoroChem | General BB | N/A | As is | in stock |
| P-588281523 | Georganics Ltd. | In stock | 97 | As is | in stock |
| P-502777986 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-579625122 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-852381078 | Matrix Scientific | All | N/A | As is | in stock |
| P-12845145 | Otava | In-House Stock Library | 90 | As is | 661 mg |
| P-18876726 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-903611152 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-875265658 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 5 mg |
| P-611495288 | Toronto Research | In stock | 90 | As is | in stock |
| P-3243456 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 188 mg |
| P-619323179 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 50 mg |
| P-31141585 | LaboTest | Screening Collection | 90 | As a main component | 10 g |
| P-424433110 | Otava | In-House Stock Library | 90 | As a main component | 551 mg |
| P-492287082 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As a main component | 551 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 116.144 |
| logP | 0.2127 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 78.25 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 32.5194 |
| Atoms | 11 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| 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 |
