Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4784603765
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 | 55 USD | 95 | 22 working days | Get Quote |
| 5 mg | 55 USD | 95 | 22 working days | Get Quote |
| 10 mg | 55 USD | 95 | 22 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-4784603765.sdf |
| SMILES | MCULE-4784603765.smiles |
| Standard InChI | MCULE-4784603765.inchi |
| InChIKey | MCULE-4784603765.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867607168 | 95 | As is | in stock |
| P-852087856 | 95 | As is | by synthesis |
| P-892790371 | 95 | As is | in stock |
| P-615727005 | 95 | As is | in stock |
| P-615728435 | 95 | As is | in stock |
| P-610983968 | 90 | As is | 31 g |
| P-901661295 | N/A | As is | in stock |
| P-606845648 | N/A | As is | in stock |
| P-596487816 | 90 | As is | 28 mg |
| P-596312158 | 90 | As is | 28 mg |
| P-864248864 | 95 | As is | by synthesis |
| P-864179680 | 95 | As is | in stock |
| P-873425417 | 90 | As is | 5 mg |
| P-580306315 | 95 | As is | by resynthesis (? - ? days) |
| P-862147505 | 95 | As is | 2 g |
| P-502444666 | 95 | As is | by synthesis |
| P-504186079 | 90 | As is | by synthesis |
| P-502669721 | 90 | As is | in stock |
| P-18791263 | 95 | As is | 33.365 g |
| P-454377681 | 95 | As is | 33.365 g |
| P-596578800 | 95 | As is | 1000 mg |
| P-31132531 | 90 | As is | unavailable |
| P-453919594 | 90 | As is | 21 mg |
| P-904098242 | 97 | As is | 250 mg |
| P-23341112 | 94 | As is | by resynthesis (? - ? days) |
| P-611495444 | 90 | As is | in stock |
| P-611606364 | 90 | As is | in stock |
| P-886939182 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 221.234 |
| logP | 2.0449 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 91.7 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.1527 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
