Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5201722992
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 28 USD | 95 | 7 working days | Get Quote |
| 10 mg | 28 USD | 95 | 7 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.
-
MCULE-4939526182
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5201722992.sdf |
| SMILES | MCULE-5201722992.smiles |
| Standard InChI | MCULE-5201722992.inchi |
| InChIKey | MCULE-5201722992.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867622290 | 98 | As is | in stock |
| P-875784738 | N/A | As is | in stock |
| P-869297401 | 95 | As is | in stock |
| P-903132661 | 98 | As is | 200 mg |
| P-1264053614 | 95 | As is | in stock |
| P-610974830 | 90 | As is | 19.944 g |
| P-881102197 | 98 | As is | 500 mg |
| P-872727927 | 98 | As is | in stock |
| P-896023331 | 95 | As is | in stock |
| P-901517756 | 95 | As is | by synthesis |
| P-851279839 | 95 | As is | by synthesis |
| P-861286102 | 98 | As is | in stock |
| P-861500420 | 95 | As is | by synthesis |
| P-579479971 | 95 | As is | in stock |
| P-868079421 | 95 | As is | in stock |
| P-873246500 | 97 | As is | 100 mg |
| P-854714386 | 95 | As is | in stock |
| P-474020654 | 95 | As is | in stock |
| P-608273409 | 98 | As is | in stock |
| P-869125362 | 95 | As is | by synthesis |
| P-892290673 | 95 | As is | unavailable |
| P-888638957 | 95 | As is | 203 mg |
| P-575302129 | 95 | As is | in stock |
| P-893438359 | 90 | As a main component | by synthesis |
| P-888623128 | 95 | As a main component | 100 mg |
| P-888171871 | 98 | As a main component | by synthesis |
| P-869161244 | 95 | As a main component | by synthesis |
| P-892295239 | 95 | As a main component | unavailable |
| P-888656477 | 95 | As a main component | 51 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 407.205 |
| logP | 4.0682 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 56.27 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 94.7827 |
| Atoms | 36 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 14 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
