Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4368499515
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 | 55 USD | 90 | 22 working days | Get Quote |
| 5 mg | 184 USD | 90 | 22 working days | Get Quote |
| 10 mg | 276 USD | 90 | 22 working days | Get Quote |
- 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-9228942627
- Component type: Main
-
MCULE-7898293464
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4368499515.sdf |
| SMILES | MCULE-4368499515.smiles |
| Standard InChI | MCULE-4368499515.inchi |
| InChIKey | MCULE-4368499515.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867642312 | 90 | As is | in stock |
| P-875808394 | 90 | As is | in stock |
| P-869352453 | 95 | As is | by resynthesis (? - ? days) |
| P-1264589117 | 95 | As is | 4 mg |
| P-1264047722 | 98 | As is | in stock |
| P-851758463 | N/A | As is | by synthesis |
| P-489238178 | 97 | As is | in stock |
| P-1271965578 | N/A | As is | 4 mg |
| P-1274807661 | 95 | As is | by resynthesis (? - ? days) |
| P-864145854 | 92 | As is | in stock |
| P-591034946 | 90 | As is | by synthesis |
| P-871218833 | N/A | As is | by resynthesis (? - ? days) |
| P-893265873 | 95 | As is | by synthesis |
| P-851279840 | 95 | As is | by synthesis |
| P-860799019 | 98 | As is | in stock |
| P-861340837 | 95 | As is | by synthesis |
| P-868078847 | 95 | As is | in stock |
| P-563586195 | 90 | As is | 250 mg |
| P-1272061392 | 95 | As is | in stock |
| P-474020817 | 95 | As is | in stock |
| P-892302647 | 95 | As is | in stock |
| P-869126507 | 95 | As is | unavailable |
| P-888639873 | 95 | As is | unavailable |
| P-666984397 | 98 | As is | in stock |
| P-899989953 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 412.482 |
| logP | 1.3774 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 12 |
| PSA | 122.72 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 115.1294 |
| Atoms | 58 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 28 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
