Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9773835068
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 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-9773835068.sdf |
| SMILES | MCULE-9773835068.smiles |
| Standard InChI | MCULE-9773835068.inchi |
| InChIKey | MCULE-9773835068.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587496 | 97 | As is | in stock |
| P-875746265 | N/A | As is | in stock |
| P-869187072 | 95 | As is | in stock |
| P-505348120 | 98 | As is | in stock |
| P-903076867 | 98 | As is | 1000 g |
| P-580242430 | 95 | As is | by synthesis |
| P-606837181 | N/A | As is | in stock |
| P-596954797 | 98 | As is | 8.5 kg |
| P-864110639 | 98 | As is | in stock |
| P-889740471 | 95 | As is | 15 g |
| P-580732604 | 97 | As is | 780 g |
| P-454640084 | 90 | As is | in stock |
| P-448676847 | 90 | As is | 1.957 g |
| P-425204136 | 90 | As is | in stock |
| P-517112934 | 90 | As is | in stock |
| P-868649296 | 98 | As is | in stock |
| P-580301479 | 95 | As is | by resynthesis (? - ? days) |
| P-580440252 | 95 | As is | by resynthesis (? - ? days) |
| P-862000334 | 95 | As is | 1.4348 kg |
| P-905338972 | 95 | As is | 25 g |
| P-31276003 | 90 | As is | 10 g |
| P-856039524 | 90 | As is | 10 g |
| P-852438741 | N/A | As is | in stock |
| P-855402369 | 95 | As is | in stock |
| P-617689762 | 90 | As is | 330 mg |
| P-26408759 | 90 | As is | 330 mg |
| P-500400933 | 98 | As is | by synthesis |
| P-889883933 | 95 | As is | by synthesis |
| P-888578378 | 94 | As is | by resynthesis (? - ? days) |
| P-611414992 | 90 | As is | in stock |
| P-611415292 | 90 | As is | in stock |
| P-893898481 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 87.120 |
| logP | 0.828 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 43.09 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 24.2494 |
| Atoms | 15 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 9 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
