Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1801162598
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 | 9 USD | 95 | 14 working days | Get Quote |
| 5 mg | 9 USD | 95 | 14 working days | Get Quote |
| 10 mg | 9 USD | 95 | 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.
-
MCULE-4307288433
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1801162598.sdf |
| SMILES | MCULE-1801162598.smiles |
| Standard InChI | MCULE-1801162598.inchi |
| InChIKey | MCULE-1801162598.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867623293 | 95 | As is | in stock |
| P-875785956 | N/A | As is | in stock |
| P-597025151 | 95 | As is | in stock |
| P-590391018 | 95 | As is | in stock |
| P-903134985 | 95 | As is | 6 g |
| P-610973480 | 90 | As is | 87.125 g |
| P-856052710 | 95 | As is | by synthesis |
| P-606951296 | N/A | As is | in stock |
| P-489214687 | 97 | As is | in stock |
| P-596964859 | 95 | As is | 3 g |
| P-585298390 | 95 | As is | by resynthesis (? - ? days) |
| P-864139173 | 97 | As is | in stock |
| P-580697409 | 95 | As is | 17.6 g |
| P-577179341 | 90 | As is | by synthesis |
| P-868580805 | 95 | As is | in stock |
| P-862000412 | 95 | As is | 4.229 g |
| P-505513648 | 95 | As is | in stock |
| P-502552078 | 95 | As is | by synthesis |
| P-563382134 | 95 | As is | 1000 mg |
| P-454387387 | 95 | As is | 1000 mg |
| P-588715234 | 95 | As is | 1000 mg |
| P-608106250 | 95 | As is | 50 g |
| P-890825659 | 95 | As is | by synthesis |
| P-852488908 | N/A | As is | in stock |
| P-888891284 | N/A | As is | in stock |
| P-885523187 | 95 | As is | by synthesis |
| P-23838792 | 90 | As is | in stock |
| P-611580630 | 90 | As is | in stock |
| P-3224606 | 90 | As is | 11.885 g |
| P-3242632 | 90 | As is | 11.885 g |
| P-521661 | 90 | As is | 11.885 g |
| P-615454762 | 95 | As is | in stock |
| P-886835948 | 95 | As a main component | in stock |
| P-901317408 | N/A | As a main component | in stock |
| P-892783495 | 95 | As a main component | in stock |
| P-903444525 | 95 | As a main component | 1000 mg |
| P-899930956 | N/A | As a main component | by synthesis |
| P-889807833 | 95 | As a main component | by synthesis |
| P-901881544 | 95 | As a main component | by synthesis |
| P-861398512 | 95 | As a main component | by synthesis |
| P-888620884 | 95 | As a main component | 250 mg |
| P-893873501 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.188 |
| logP | 1.4799 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 72.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 47.1862 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
