Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9135774315-0
Structure
Show compound
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 | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 62 USD | 90 | 19 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-9135774315-0.sdf |
| SMILES | MCULE-9135774315-0.smiles |
| Standard InChI | MCULE-9135774315-0.inchi |
| InChIKey | MCULE-9135774315-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892906767 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-900246634 | Angene | Building Blocks in stock | 98 | As is | 100 mg |
| P-869973278 | Asinex | General screening catalog | 90 | As is | 595 mg |
| P-893239360 | Biosynth | In Stock | 95 | As is | in stock |
| P-3426771 | ChemDiv | Discovery Chemistry Library | 90 | As is | 325 mg |
| P-34789215 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-502532345 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502690963 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12378679 | InterBioScreen | Screening Compounds | 92 | As is | 60 mg |
| P-31149675 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-35198239 | Maybridge | Screening Collection | 90 | As is | 21.291 kg |
| P-637351166 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-13677229 | Pharmeks LLC | Synthetic compounds | 92 | As is | 60 mg |
| P-18821678 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22523560 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 10 mg |
| P-611455985 | Toronto Research | In stock | 90 | As is | in stock |
| P-1028441 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 248 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 374.387 |
| logP | 3.8078 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 110.45 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 104.1387 |
| Atoms | 49 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 22 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
