Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5916390928-0
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 | 45 USD | 95 | 15 working days | Get Quote |
| 5 mg | 45 USD | 95 | 15 working days | Get Quote |
| 10 mg | 45 USD | 95 | 15 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-5916390928-0.sdf |
| SMILES | MCULE-5916390928-0.smiles |
| Standard InChI | MCULE-5916390928-0.inchi |
| InChIKey | MCULE-5916390928-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886574307 | 95 | As is | in stock |
| P-875759208 | N/A | As is | in stock |
| P-869239936 | 95 | As is | in stock |
| P-903094986 | 95 | As is | 5 g |
| P-606854738 | N/A | As is | in stock |
| P-892188954 | 95 | As is | 3 g |
| P-896023285 | 95 | As is | in stock |
| P-890245869 | 95 | As is | 2.185 g |
| P-901546299 | 95 | As is | by synthesis |
| P-577177895 | 90 | As is | by synthesis |
| P-851257191 | 95 | As is | by synthesis |
| P-861501271 | 95 | As is | by synthesis |
| P-580382488 | N/A | As is | by resynthesis (? - ? days) |
| P-489246853 | 95 | As is | in stock |
| P-890215217 | 90 | As is | in stock |
| P-590337650 | 90 | As is | 1000 mg |
| P-563593309 | 95 | As is | 5 g |
| P-852529239 | N/A | As is | in stock |
| P-895271306 | 95 | As is | by synthesis |
| P-893851554 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 158.198 |
| logP | -0.6687 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 41.57 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.4617 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
