Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2196392901
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 | 36 USD | 92 | 15 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 66 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-2196392901.sdf |
| SMILES | MCULE-2196392901.smiles |
| Standard InChI | MCULE-2196392901.inchi |
| InChIKey | MCULE-2196392901.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-3729901 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-874516598 | ChemDiv | Discovery Chemistry Library | 90 | As is | 0 mg |
| P-503323319 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502635579 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502685037 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-617864662 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-31133559 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
| P-651024774 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-622594138 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-424809053 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-424811239 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-454020042 | Specs | Screening Compounds | 90 | As is | 14 mg |
| P-424720199 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 77 mg |
| P-1703601 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 151 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 315.778 |
| logP | 3.326 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 79.65 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 90.4667 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
