Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7085838534
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 | 62 USD | 90 | 21 working days | Get Quote |
| 5 mg | 100 USD | 90 | 21 working days | Get Quote |
| 10 mg | 120 USD | 90 | 21 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-7085838534.sdf |
| SMILES | MCULE-7085838534.smiles |
| Standard InChI | MCULE-7085838534.inchi |
| InChIKey | MCULE-7085838534.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875766012 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590936477 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-55873 | Chemical Block | Screening Library | 90 | As is | 3 mg |
| P-861536721 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-852409364 | Matrix Scientific | All | N/A | As is | in stock |
| P-895540727 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-893083865 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-851916826 | AmBeed | On request | N/A | As an isomer | by synthesis |
| P-577180687 | ChemDiv | Building Blocks on demand | 90 | As an isomer | by synthesis |
| P-34565637 | Crea-Chim | HTS compounds | 90 | As an isomer | unavailable |
| P-502444628 | Innovapharm | Virtual Building Blocks | 95 | As an isomer | by synthesis |
| P-12268224 | Otava | In-House Stock Library | 90 | As an isomer | 82 mg |
| P-23813672 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
| P-33474847 | TimTec | ActiMol 3 Week | 90 | As an isomer | in stock |
| P-888450063 | TimTec | ActiMol 4 Week - On demand | 94 | As an isomer | by resynthesis (? - ? days) |
| P-611434066 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-855214510 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-3241251 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As an isomer | 59 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 235.330 |
| logP | 2.8126 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 86.49 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 71.2977 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
