Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4218285965
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 | 11 USD | 99 | 14 working days | Get Quote |
| 5 mg | 11 USD | 99 | 14 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-4230253375
- Component type: Main
-
MCULE-2945165162
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4218285965.sdf |
| SMILES | MCULE-4218285965.smiles |
| Standard InChI | MCULE-4218285965.inchi |
| InChIKey | MCULE-4218285965.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875724886 | N/A | As is | in stock |
| P-903054441 | 99 | As is | 20 g |
| P-1264046962 | 95 | As is | in stock |
| P-489154467 | 97 | As is | in stock |
| P-580703440 | 98 | As is | 6.7 g |
| P-871218661 | N/A | As is | by resynthesis (? - ? days) |
| P-881634024 | 98 | As is | in stock |
| P-851239606 | 95 | As is | by synthesis |
| P-868609943 | 97 | As is | in stock |
| P-579479095 | 95 | As is | in stock |
| P-852519511 | N/A | As is | in stock |
| P-854711761 | 95 | As is | in stock |
| P-1263159456 | 95 | As is | in stock |
| P-474025218 | 95 | As is | in stock |
| P-608276681 | 98 | As is | in stock |
| P-903217953 | 98 | As a main component | 165 g |
| P-590633349 | 98 | As a main component | 5.1 g |
| P-851315085 | 95 | As a main component | by synthesis |
| P-868631314 | 98 | As a main component | in stock |
| P-895183017 | 95 | As a main component | in stock |
| P-875884028 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 557.040 |
| logP | 6.07848 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 12 |
| PSA | 112.4 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 157.0474 |
| Atoms | 69 |
| Rings | 4 |
| Heavy atoms | 40 |
| Hydrogen atoms | 29 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
