Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2724384522
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 | 50 USD | 90 | 21 working days | Get Quote |
| 5 mg | 72 USD | 95 | 21 working days | Get Quote |
| 10 mg | 72 USD | 95 | 21 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-3787904641
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2724384522.sdf |
| SMILES | MCULE-2724384522.smiles |
| Standard InChI | MCULE-2724384522.inchi |
| InChIKey | MCULE-2724384522.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489184405 | 97 | As is | in stock |
| P-861278414 | 95 | As is | in stock |
| P-580418357 | 95 | As is | by resynthesis (? - ? days) |
| P-856082086 | 98 | As is | by resynthesis (? - ? days) |
| P-12392686 | 90 | As is | 1.499 g |
| P-492274671 | 95 | As is | 1.499 g |
| P-904336908 | 90 | As a main component | 500 mg |
| P-580241939 | 95 | As a main component | by synthesis |
| P-893300454 | N/A | As a main component | in stock |
| P-489198559 | 97 | As a main component | in stock |
| P-864215135 | 95 | As a main component | by synthesis |
| P-893235508 | 95 | As a main component | in stock |
| P-851281930 | 95 | As a main component | by synthesis |
| P-872785542 | 95 | As a main component | in stock |
| P-580422231 | 95 | As a main component | by resynthesis (? - ? days) |
| P-852488147 | N/A | As a main component | in stock |
| P-895265072 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 175.270 |
| logP | 3.505 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.9194 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 17 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
