Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1802560816
Compound
Show structures
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 | 19 USD | 98 | 22 working days | Get Quote |
| 5 mg | 56 USD | 98 | 22 working days | Get Quote |
| 10 mg | 99 USD | 98 | 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-4208853349
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1802560816.sdf |
| SMILES | MCULE-1802560816.smiles |
| Standard InChI | MCULE-1802560816.inchi |
| InChIKey | MCULE-1802560816.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867549101 | 98 | As is | in stock |
| P-875706680 | 98 | As is | in stock |
| P-613847106 | 95 | As is | by resynthesis (? - ? days) |
| P-903032270 | 98 | As is | 250 mg |
| P-893588804 | 90 | As is | 4.714 g |
| P-1270353022 | 98 | As is | in stock |
| P-851951350 | N/A | As is | in stock |
| P-865905252 | 98 | As is | 300 mg |
| P-1273451030 | 95 | As is | by resynthesis (? - ? days) |
| P-1273473093 | 95 | As is | by resynthesis (? - ? days) |
| P-869392169 | 95 | As is | in stock |
| P-871212703 | 95 | As is | by synthesis |
| P-887189030 | 95 | As is | by synthesis |
| P-901409260 | 98 | As is | 300 mg |
| P-855955965 | 97 | As is | 50 mg |
| P-854713560 | 95 | As is | in stock |
| P-1263156207 | 95 | As is | by synthesis |
| P-878644291 | 98 | As is | in stock |
| P-889864050 | 95 | As is | by synthesis |
| P-892291387 | 95 | As is | unavailable |
| P-869127206 | 95 | As is | 202 mg |
| P-888640370 | 95 | As is | 202 mg |
| P-906847489 | 98 | As is | by synthesis |
| P-1271703133 | 98 | As is | in stock |
| P-904065023 | 95 | As a main component | by synthesis |
| P-1274341617 | 95 | As a main component | unavailable |
| P-1274353432 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 544.608 |
| logP | 8.0516 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 13 |
| PSA | 85.22 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 153.8063 |
| Atoms | 73 |
| Rings | 4 |
| Heavy atoms | 40 |
| Hydrogen atoms | 33 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
