Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4399372305
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 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 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-4399372305.sdf |
| SMILES | MCULE-4399372305.smiles |
| Standard InChI | MCULE-4399372305.inchi |
| InChIKey | MCULE-4399372305.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886614117 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889928372 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-612936265 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-888187378 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-34907488 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436475301 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851837565 | AmBeed | On request | N/A | As is | by synthesis |
| P-591142079 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-454661309 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-874588003 | ChemDiv | Discovery Chemistry Library | 90 | As is | 661 mg |
| P-861557255 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-861965660 | FluoroChem | General BB | N/A | As is | in stock |
| P-890216662 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590339092 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-488551245 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13766668 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-596585661 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
| P-856042638 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31273635 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-588255219 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852393096 | Matrix Scientific | All | N/A | As is | in stock |
| P-854918148 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-454372269 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-13937872 | Pharmeks LLC | Synthetic compounds | 92 | As is | in stock |
| P-18945520 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885515963 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22652330 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502385181 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888468593 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611415013 | Toronto Research | In stock | 90 | As is | in stock |
| P-3215237 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 17.056 g |
| P-509892 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 17.056 g |
| P-3241425 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 17.056 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.231 |
| logP | 2.5175 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 54.7731 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
