Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8335882677
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 | 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-8335882677.sdf |
| SMILES | MCULE-8335882677.smiles |
| Standard InChI | MCULE-8335882677.inchi |
| InChIKey | MCULE-8335882677.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612864681 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-875766780 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869328811 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-19979985 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436458063 | Alinda | Building Blocks | 95 | As is | 10 g |
| P-851909537 | AmBeed | On request | N/A | As is | by synthesis |
| P-489228505 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-591070601 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-492247353 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-454671072 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-861513551 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34503950 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-862037840 | FluoroChem | General BB | 95 | As is | in stock |
| P-579486644 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 3.09 g |
| P-890205268 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-502494418 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454419039 | Key Organics | Building Blocks | 95 | As is | 932 mg |
| P-454355632 | Key Organics | Screening Compounds and Fragments | 95 | As is | 932 mg |
| P-870621419 | Life Chemicals | Screening Compounds | 90 | As is | 21 mg |
| P-852430243 | Matrix Scientific | All | N/A | As is | in stock |
| P-895525976 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-23968495 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-859958172 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22692090 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-873221346 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888516096 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611603734 | Toronto Research | In stock | 90 | As is | in stock |
| P-3218967 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.526 g |
| P-1248553 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.526 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.220 |
| logP | 1.7196 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 59.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 61.2363 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
