Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7014696428
Compound
Show structure
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 | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 95 | 10 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.
| Name | File |
|---|---|
| SDF | MCULE-7014696428.sdf |
| SMILES | MCULE-7014696428.smiles |
| Standard InChI | MCULE-7014696428.inchi |
| InChIKey | MCULE-7014696428.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867649046 | 95 | As is | in stock |
| P-875815920 | N/A | As is | in stock |
| P-615715108 | 95 | As is | in stock |
| P-851884071 | N/A | As is | by synthesis |
| P-596435459 | 90 | As is | 1000 mg |
| P-596495085 | 90 | As is | 1000 mg |
| P-591050729 | 98 | As is | by synthesis |
| P-492269483 | 95 | As is | in stock |
| P-504789351 | 90 | As is | 1 mg |
| P-868569778 | 98 | As is | in stock |
| P-488543272 | 90 | As is | in stock |
| P-12636353 | 95 | As is | 300 mg |
| P-596594736 | 90 | As is | 5 g |
| P-852402000 | N/A | As is | in stock |
| P-895442038 | 95 | As is | by synthesis |
| P-454363556 | 92 | As is | in stock |
| P-445322967 | 92 | As is | 300 mg |
| P-885529421 | 95 | As is | by synthesis |
| P-18888902 | 90 | As is | in stock |
| P-873237018 | 90 | As is | in stock |
| P-903639929 | 94 | As is | by resynthesis (? - ? days) |
| P-22501133 | 90 | As is | 5 mg |
| P-611379393 | 90 | As is | in stock |
| P-1617557 | 90 | As is | 135 mg |
| P-893677514 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 230.258 |
| logP | 3.0806 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 64.3538 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
