Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4985068420
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 | 95 | 15 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 68 USD | N/A | 17 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-4985068420.sdf |
| SMILES | MCULE-4985068420.smiles |
| Standard InChI | MCULE-4985068420.inchi |
| InChIKey | MCULE-4985068420.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886559696 | 95 | As is | in stock |
| P-889906617 | N/A | As is | by synthesis |
| P-611622648 | 95 | As is | in stock |
| P-903072318 | 95 | As is | 2.5 g |
| P-851643831 | N/A | As is | by synthesis |
| P-889808168 | 95 | As is | by synthesis |
| P-590855567 | 95 | As is | by synthesis |
| P-901485712 | 95 | As is | by synthesis |
| P-577172330 | 90 | As is | by synthesis |
| P-3659936 | 90 | As is | 1.686 g |
| P-425248845 | 90 | As is | in stock |
| P-861478814 | 95 | As is | by synthesis |
| P-502486788 | 95 | As is | by synthesis |
| P-488546149 | 90 | As is | in stock |
| P-13491448 | 95 | As is | 300 mg |
| P-596587347 | 90 | As is | 5 g |
| P-588251189 | N/A | As is | by synthesis |
| P-854918713 | 95 | As is | by synthesis |
| P-454366500 | 92 | As is | in stock |
| P-885515998 | 95 | As is | by synthesis |
| P-18918247 | 90 | As is | in stock |
| P-896074389 | N/A | As is | 577 mg |
| P-502328574 | 90 | As is | in stock |
| P-23047922 | 94 | As is | by resynthesis (? - ? days) |
| P-611533644 | 90 | As is | in stock |
| P-3226243 | 90 | As is | 3.342 g |
| P-400035 | 90 | As is | 3.342 g |
| P-893814101 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 257.066 |
| logP | 3.9516 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 61.1233 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
