Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1937757973-0
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 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-7152203152-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1937757973-0.sdf |
| SMILES | MCULE-1937757973-0.smiles |
| Standard InChI | MCULE-1937757973-0.inchi |
| InChIKey | MCULE-1937757973-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867541589 | 95 | As is | in stock |
| P-596938387 | 98 | As is | 200 g |
| P-864146118 | 98 | As is | in stock |
| P-901462630 | 95 | As is | by synthesis |
| P-893219383 | 95 | As is | in stock |
| P-870652818 | N/A | As is | in stock |
| P-890851238 | 90 | As is | in stock |
| P-890850040 | 95 | As is | in stock |
| P-854123493 | 95 | As is | 14 mg |
| P-856009104 | 98 | As is | 100 mg |
| P-881187982 | 90 | As is | 3.4 g |
| P-579711574 | N/A | As is | in stock |
| P-869107811 | 95 | As is | by synthesis |
| P-892286403 | 95 | As is | unavailable |
| P-888626846 | 95 | As is | 199 mg |
| P-906759313 | 98 | As is | by synthesis |
| P-611469899 | 90 | As is | in stock |
| P-892917471 | N/A | Main component | by synthesis |
| P-860656778 | N/A | Main component | by synthesis |
| P-901230601 | N/A | Main component | by synthesis |
| P-903324921 | 95 | Main component | 100 mg |
| P-900250596 | 95 | Main component | unavailable |
| P-870652817 | N/A | Main component | in stock |
| P-899990557 | 95 | Main component | by synthesis |
| P-902990512 | 95 | Main component | by synthesis |
| P-885534974 | 95 | Main component | by synthesis |
| P-855064396 | 90 | Main component | in stock |
| P-855064439 | 90 | Main component | in stock |
| P-903020900 | 98 | Main component as a main component | 300 g |
| P-851268445 | 95 | Main component as a main component | by synthesis |
| P-868576593 | 98 | Main component as a main component | in stock |
| P-608497961 | 95 | Main component as a main component | in stock |
| P-608115011 | 98 | Main component as a main component | 5 kg |
| P-902988811 | 95 | Main component as a main component | by synthesis |
| P-854715933 | 95 | Main component as a main component | in stock |
| P-474025830 | 95 | Main component as a main component | in stock |
| P-608271187 | 98 | Main component as a main component | in stock |
| P-13240880 | 92 | Main component as a main component | 14 mg |
| P-1263959051 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 356.415 |
| logP | 2.877 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 90.73 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 100.2256 |
| Atoms | 50 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 24 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
