Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5899099077
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 | 6 USD | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 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-5899099077.sdf |
| SMILES | MCULE-5899099077.smiles |
| Standard InChI | MCULE-5899099077.inchi |
| InChIKey | MCULE-5899099077.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867646040 | 95 | As is | in stock |
| P-875813081 | N/A | As is | in stock |
| P-590359627 | 97 | As is | in stock |
| P-903174189 | 99 | As is | 75 g |
| P-893566625 | 90 | As is | 917.649 g |
| P-851927838 | N/A | As is | in stock |
| P-865923514 | 99 | As is | 300 g |
| P-494404736 | 95 | As is | by resynthesis (? - ? days) |
| P-864123019 | 95 | As is | in stock |
| P-617431788 | 95 | As is | 6 g |
| P-454749667 | 90 | As is | in stock |
| P-619830459 | 90 | As is | 1.995 g |
| P-861272658 | 95 | As is | in stock |
| P-868619670 | 97 | As is | in stock |
| P-580410186 | 95 | As is | by resynthesis (? - ? days) |
| P-862011464 | 95 | As is | 43.768 g |
| P-579625123 | 95 | As is | unavailable |
| P-856043182 | 90 | As is | 2 g |
| P-31201359 | 90 | As is | 2 g |
| P-867944828 | 95 | As is | in stock |
| P-18953142 | 90 | As is | in stock |
| P-502366499 | 90 | As is | in stock |
| P-855357375 | 90 | As is | in stock |
| P-3243163 | 90 | As is | 100 mg |
| P-539751 | 90 | As is | 100 mg |
| P-893996663 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 186.590 |
| logP | 1.8667 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.3545 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
