Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9821604481-0
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 | 5 USD | N/A | 14 working days | Get Quote |
| 5 mg | 5 USD | N/A | 14 working days | Get Quote |
| 10 mg | 5 USD | N/A | 14 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-9370807249-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9821604481-0.sdf |
| SMILES | MCULE-9821604481-0.smiles |
| Standard InChI | MCULE-9821604481-0.inchi |
| InChIKey | MCULE-9821604481-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867571966 | 95 | As a main component | in stock |
| P-875732040 | 95 | As a main component | in stock |
| P-597025954 | 95 | As a main component | unavailable |
| P-1275201745 | 98 | As a main component | in stock |
| P-1275156446 | 95 | As a main component | in stock |
| P-903062108 | N/A | As a main component | 4.5 kg |
| P-1270333560 | N/A | As a main component | in stock |
| P-580241663 | 95 | As a main component | by synthesis |
| P-606862695 | N/A | As a main component | in stock |
| P-851675349 | N/A | As a main component | by synthesis |
| P-489165117 | 97 | As a main component | in stock |
| P-596949736 | 97 | As a main component | 3 kg |
| P-1273342527 | 95 | As a main component | by resynthesis (? - ? days) |
| P-895937042 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864107554 | 95 | As a main component | in stock |
| P-580723585 | 95 | As a main component | 1.28 kg |
| P-674397942 | 95 | As a main component | by synthesis |
| P-868600315 | 97 | As a main component | in stock |
| P-901375289 | 95 | As a main component | 413.5 g |
| P-905347035 | 95 | As a main component | 2.485 kg |
| P-870658127 | N/A | As a main component | in stock |
| P-524169758 | 97 | As a main component | 100 g |
| P-1272589120 | 97 | As a main component | 1000 g |
| P-852468050 | 97 | As a main component | by synthesis |
| P-904073164 | 95 | As a main component | in stock |
| P-889880244 | 95 | As a main component | by synthesis |
| P-596754364 | 95 | As a main component | 9.8293 kg |
| P-873225224 | 90 | As a main component | in stock |
| P-906771790 | 96 | As a main component | by synthesis |
| P-611357169 | 90 | As a main component | in stock |
| P-1271645972 | 97 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.094 |
| logP | 1.4776 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.2004 |
| Atoms | 23 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 15 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
