Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8331503444-0
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 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.
-
1
MCULE-7003387212-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8331503444-0.sdf |
| SMILES | MCULE-8331503444-0.smiles |
| Standard InChI | MCULE-8331503444-0.inchi |
| InChIKey | MCULE-8331503444-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867564968 | 98 | As is | in stock |
| P-875724590 | N/A | As is | in stock |
| P-869181767 | 95 | As is | in stock |
| P-588245923 | 98 | As is | in stock |
| P-903053698 | 97 | As is | 2.5 kg |
| P-905479559 | 98 | As is | 10 g |
| P-580238252 | 95 | As is | by synthesis |
| P-893302195 | N/A | As is | in stock |
| P-606850222 | N/A | As is | in stock |
| P-489136073 | 97 | As is | in stock |
| P-596946691 | 98 | As is | 3 kg |
| P-494331665 | 95 | As is | by resynthesis (? - ? days) |
| P-864148207 | 95 | As is | in stock |
| P-580733667 | 98 | As is | 1.87 kg |
| P-901450815 | 95 | As is | by synthesis |
| P-617650647 | 90 | As is | in stock |
| P-584598794 | 95 | As is | 14 g |
| P-851272548 | 95 | As is | by synthesis |
| P-868602402 | 98 | As is | in stock |
| P-905328142 | 97 | As is | 633 g |
| P-861920081 | 97 | As is | 633 g |
| P-500417019 | 99 | As is | in stock |
| P-492241935 | 95 | As is | in stock |
| P-524163602 | 97 | As is | 500 g |
| P-454417287 | 95 | As is | 10 g |
| P-579666300 | 95 | As is | by resynthesis (? - ? days) |
| P-579613829 | 95 | As is | 1.25 kg |
| P-31249301 | 90 | As is | unavailable |
| P-613278778 | 95 | As is | by synthesis |
| P-852428451 | N/A | As is | in stock |
| P-34037525 | 90 | As is | 300 mg |
| P-617694593 | 95 | As is | 300 mg |
| P-500370280 | 98 | As is | by synthesis |
| P-885518225 | 95 | As is | by synthesis |
| P-675099068 | 90 | As is | in stock |
| P-502331820 | 90 | As is | in stock |
| P-872978232 | 90 | As is | 10 mg |
| P-873005656 | 90 | As is | 100 mg |
| P-906768898 | 99 | As is | by synthesis |
| P-906759575 | 98 | As is | by synthesis |
| P-611407489 | 90 | As is | in stock |
| P-868498713 | 95 | As is | in stock |
| P-867394651 | N/A | Main component | by synthesis |
| P-580288453 | N/A | Main component | by resynthesis (? - ? days) |
| P-895507653 | 95 | Main component | by synthesis |
| P-893647548 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 139.579 |
| logP | 1.0089 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 32.2994 |
| Atoms | 18 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
