Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4287725063
Compound
Show structures
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 41 USD | 90 | 22 working days | Get Quote |
| 10 mg | 55 USD | 90 | 22 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-4287725063.sdf |
| SMILES | MCULE-4287725063.smiles |
| Standard InChI | MCULE-4287725063.inchi |
| InChIKey | MCULE-4287725063.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867418948 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-890138669 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-612936026 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-888308016 | AmBeed | In stock | N/A | As is | in stock |
| P-596348036 | Asinex | General screening catalog | 90 | As is | 175 mg |
| P-889785867 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590847823 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-4527803 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-4853871 | ChemDiv | Discovery Chemistry Library | 90 | As is | 19 mg |
| P-62687 | Chemical Block | Screening Library | 90 | As is | 137 mg |
| P-889037094 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34664627 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-502691113 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12638099 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-888623770 | Key Organics | Building Blocks | 95 | As is | 1 mg |
| P-14092591 | Life Chemicals | Screening Compounds | 90 | As is | 2 mg |
| P-852386125 | Matrix Scientific | All | N/A | As is | in stock |
| P-13793907 | Pharmeks LLC | Synthetic compounds | 92 | As is | 55 mg |
| P-18821916 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-24021063 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491074645 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-12432635 | Specs | Screening Compounds | 90 | As is | 53 mg |
| P-22494608 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 191 mg |
| P-2609588 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 68 mg |
| P-2199012 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 60 mg |
| P-886946715 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 256.125 |
| logP | 2.8968 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 76.56 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.9084 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
