Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2412589512
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 | 36 USD | 90 | 26 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 41 USD | 90 | 26 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-4075415371
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2412589512.sdf |
| SMILES | MCULE-2412589512.smiles |
| Standard InChI | MCULE-2412589512.inchi |
| InChIKey | MCULE-2412589512.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886572397 | 95 | As is | in stock |
| P-901260792 | N/A | As is | in stock |
| P-869330007 | 95 | As is | in stock |
| P-903092747 | 95 | As is | 1000 mg |
| P-851542626 | N/A | As is | by synthesis |
| P-864290170 | 95 | As is | by synthesis |
| P-590815549 | 95 | As is | by synthesis |
| P-492254356 | 95 | As is | in stock |
| P-4147088 | 90 | As is | 100 mg |
| P-454734966 | 90 | As is | in stock |
| P-436474021 | 95 | As is | in stock |
| P-34858273 | 90 | As is | in stock |
| P-851331560 | 95 | As is | by synthesis |
| P-868621902 | 95 | As is | in stock |
| P-580403374 | 95 | As is | by resynthesis (? - ? days) |
| P-590339461 | 90 | As is | 1000 mg |
| P-890217031 | 90 | As is | in stock |
| P-596574521 | 95 | As is | 250 mg |
| P-852533883 | N/A | As is | in stock |
| P-428054856 | 90 | As is | 443 g |
| P-854866590 | 95 | As is | by synthesis |
| P-859994034 | 95 | As is | by synthesis |
| P-19647736 | 90 | As is | in stock |
| P-502330153 | 90 | As is | in stock |
| P-22495964 | 90 | As is | 1000 mg |
| P-611576588 | 90 | As is | in stock |
| P-893865248 | 95 | As is | by synthesis |
| P-886812751 | 95 | As a main component | in stock |
| P-901317222 | N/A | As a main component | in stock |
| P-903426236 | 95 | As a main component | 10 g |
| P-904027617 | N/A | As a main component | by synthesis |
| P-889809307 | 95 | As a main component | by synthesis |
| P-905525160 | 95 | As a main component | by synthesis |
| P-893619765 | 95 | As a main component | in stock |
| P-893765876 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.203 |
| logP | 1.6455 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 56.73 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.1244 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
