Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1798213734-0
Structure
Show compound
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 | 30 USD | 95 | 14 working days | Get Quote |
| 5 mg | 30 USD | 98 | 22 working days | Get Quote |
| 10 mg | 42 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-3600731037-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1798213734-0.sdf |
| SMILES | MCULE-1798213734-0.smiles |
| Standard InChI | MCULE-1798213734-0.inchi |
| InChIKey | MCULE-1798213734-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867642891 | N/A | As is | in stock |
| P-875809332 | N/A | As is | in stock |
| P-869208942 | 95 | As is | by resynthesis (? - ? days) |
| P-505394202 | 95 | As is | by resynthesis (? - ? days) |
| P-1264052710 | 98 | As is | in stock |
| P-893584202 | 90 | As is | 1.391 g |
| P-1270372509 | 98 | As is | in stock |
| P-851927321 | N/A | As is | in stock |
| P-865922780 | 98 | As is | 100 mg |
| P-1273451816 | 95 | As is | by resynthesis (? - ? days) |
| P-895935286 | 95 | As is | by resynthesis (? - ? days) |
| P-864204363 | 95 | As is | in stock |
| P-901450052 | 95 | As is | by synthesis |
| P-851314981 | 95 | As is | by synthesis |
| P-860800287 | 98 | As is | in stock |
| P-887189296 | 95 | As is | by synthesis |
| P-579481924 | 95 | As is | in stock |
| P-901410751 | 98 | As is | 200 mg |
| P-868079106 | 95 | As is | in stock |
| P-524166462 | 95 | As is | 1 mg |
| P-854715708 | 95 | As is | in stock |
| P-871069782 | 95 | As is | in stock |
| P-888170963 | 98 | As is | by synthesis |
| P-892287598 | 95 | As is | unavailable |
| P-869110615 | 95 | As is | 203 mg |
| P-888628825 | 95 | As is | 203 mg |
| P-906902911 | 98 | As is | in stock |
| P-1271708202 | 98 | As is | in stock |
| P-889796857 | 95 | As a main component | by synthesis |
| P-1275576597 | 98 | As a main component | by synthesis |
| P-873251686 | 97 | As a main component | 5 mg |
| P-854715639 | 95 | As a main component | in stock |
| P-1271521159 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 573.549 |
| logP | 7.1782 |
| H-bond acceptors | 11 |
| H-bond donors | 4 |
| Rotatable bonds | 11 |
| PSA | 159.95 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 142.4195 |
| Atoms | 62 |
| Rings | 4 |
| Heavy atoms | 40 |
| Hydrogen atoms | 22 |
| Heteroatoms | 15 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
