Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3341525983
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 | 7 USD | 99 | 8 working days | Get Quote |
| 5 mg | 7 USD | 99 | 8 working days | Get Quote |
| 10 mg | 7 USD | 99 | 8 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-3341525983.sdf |
| SMILES | MCULE-3341525983.smiles |
| Standard InChI | MCULE-3341525983.inchi |
| InChIKey | MCULE-3341525983.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489160495 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-25943122 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As is | 65 mg |
| P-579788498 | Apollo Scientific | In Stock | 95 | As is | 138.5 g |
| P-900154599 | AvaChem Scientific | In stock | 95 | As is | in stock |
| P-580722927 | BLD pharm | In-stock building blocks | 99 | As is | 301.25 g |
| P-900267534 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-452650609 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-851278298 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868597013 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-579476916 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-579622309 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-895185022 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-854690663 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-584618471 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-584618472 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608278190 | Molnova | Stock | 98 | As is | in stock |
| P-589631386 | Selleckchem | Epigenetics | N/A | As is | in stock |
| P-579710786 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-867418299 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-872728547 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
| P-864328927 | AstaTech | Backordered BBs | 95 | As an isomer | by synthesis |
| P-500417451 | Glentham Life Sciences | Compounds maintained in stock | 98 | As an isomer | in stock |
| P-608220391 | Glentham Life Sciences | Compounds maintained in stock | 98 | As an isomer | in stock |
| P-878210081 | Key Organics | Building Blocks | 95 | As an isomer | 5 mg |
| P-596597613 | Key Organics | Building Blocks | 90 | As an isomer | 500 mg |
| P-855962350 | Key Organics | Building Blocks | 97 | As an isomer | 50 mg |
| P-445353127 | Pharmeks LLC | Natural & unique compounds | 92 | As an isomer | 300 mg |
| P-520168815 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-885530778 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
| P-896086393 | Specs | Natural Products | 80 | As an isomer | unavailable |
| P-33163608 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 62 mg |
| P-35134069 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 130 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 458.370 |
| logP | 2.2332 |
| H-bond acceptors | 11 |
| H-bond donors | 8 |
| Rotatable bonds | 4 |
| PSA | 197.37 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 112.0645 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 18 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
