Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4253773491
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 | 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-4253773491.sdf |
| SMILES | MCULE-4253773491.smiles |
| Standard InChI | MCULE-4253773491.inchi |
| InChIKey | MCULE-4253773491.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852100632 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-875800588 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615715239 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-19950497 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851864068 | AmBeed | On request | N/A | As is | by synthesis |
| P-489217657 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-579786643 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-591025753 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-861273967 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-861368848 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34458705 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-454382619 | Key Organics | Building Blocks | 95 | As is | 29.412 g |
| P-18793162 | Key Organics | Screening Compounds and Fragments | 95 | As is | 29.412 g |
| P-852412618 | Matrix Scientific | All | N/A | As is | in stock |
| P-864072713 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-23907211 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22857410 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502407972 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888500707 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-1345749 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.692 g |
| P-893686954 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 251.664 |
| logP | 3.09 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 52.33 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 63.1945 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
