Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1453399203
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 | 36 USD | 92 | 18 working days | Get Quote |
| 5 mg | 56 USD | 92 | 18 working days | Get Quote |
| 10 mg | 70 USD | 92 | 18 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-1453399203.sdf |
| SMILES | MCULE-1453399203.smiles |
| Standard InChI | MCULE-1453399203.inchi |
| InChIKey | MCULE-1453399203.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886762900 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-890189345 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-889821726 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-34736171 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-13927260 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-35161092 | Maybridge | Screening Collection | 90 | As is | 870 g |
| P-647054827 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-13701253 | Pharmeks LLC | Semi-natural compounds | 92 | As is | 300 mg |
| P-24069108 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-454076490 | Specs | Screening Compounds | 90 | As is | 18 mg |
| P-902698747 | Specs | Natural Products | 80 | As is | 18 mg |
| P-22770882 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-578056746 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 58 mg |
| P-893791095 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 360.362 |
| logP | 4.0354 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 95.5 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 101.8297 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 16 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
