Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4310803796-0
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 | 12 USD | 98 | 20 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 USD | 98 | 20 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-4310803796-0.sdf |
| SMILES | MCULE-4310803796-0.smiles |
| Standard InChI | MCULE-4310803796-0.inchi |
| InChIKey | MCULE-4310803796-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867605166 | N/A | As is | in stock |
| P-875763357 | N/A | As is | in stock |
| P-613855333 | 95 | As is | in stock |
| P-903099582 | 98 | As is | 100 g |
| P-893551269 | 90 | As is | 112.246 g |
| P-875894765 | N/A | As is | in stock |
| P-606865731 | N/A | As is | in stock |
| P-489121753 | 97 | As is | in stock |
| P-596993472 | 98 | As is | 20 g |
| P-872725774 | 98 | As is | in stock |
| P-864174128 | 95 | As is | in stock |
| P-617431893 | 95 | As is | 2 g |
| P-901413295 | 95 | As is | in stock |
| P-893232436 | 95 | As is | in stock |
| P-579794789 | 95 | As is | in stock |
| P-452661194 | 98 | As is | in stock |
| P-851279177 | 95 | As is | by synthesis |
| P-868647823 | 98 | As is | in stock |
| P-580283646 | N/A | As is | by resynthesis (? - ? days) |
| P-905354936 | 98 | As is | 35 g |
| P-905410417 | 98 | As is | 46.485 g |
| P-890212130 | 90 | As is | in stock |
| P-579523323 | 90 | As is | 1 mg |
| P-492243161 | 95 | As is | in stock |
| P-615639409 | 95 | As is | in stock |
| P-580497729 | N/A | As is | by synthesis |
| P-869096991 | 95 | As is | in stock |
| P-608279779 | 98 | As is | in stock |
| P-878642770 | 98 | As is | in stock |
| P-888887694 | N/A | As is | in stock |
| P-859989236 | 95 | As is | by synthesis |
| P-869163749 | 95 | As is | by synthesis |
| P-892304563 | 95 | As is | in stock |
| P-892299896 | 95 | As is | unavailable |
| P-888659067 | 95 | As is | 150 mg |
| P-611382675 | 90 | As is | in stock |
| P-615453693 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 189.167 |
| logP | 1.2263 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 70.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 51.528 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 7 |
| 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 |
