Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9652554788
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 | 14 USD | 97 | 8 working days | Get Quote |
| 5 mg | 14 USD | 97 | 8 working days | Get Quote |
| 10 mg | 14 USD | 97 | 8 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-9652554788.sdf |
| SMILES | MCULE-9652554788.smiles |
| Standard InChI | MCULE-9652554788.inchi |
| InChIKey | MCULE-9652554788.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867611560 | 97 | As is | in stock |
| P-875771281 | N/A | As is | in stock |
| P-590387322 | 95 | As is | in stock |
| P-903111185 | 97 | As is | 20 g |
| P-893571175 | 90 | As is | 18 g |
| P-606919926 | N/A | As is | in stock |
| P-489208255 | 97 | As is | in stock |
| P-619180326 | 97 | As is | 10 g |
| P-494342501 | 95 | As is | by resynthesis (? - ? days) |
| P-864155442 | 95 | As is | in stock |
| P-619601384 | 97 | As is | 1.25 g |
| P-492255178 | 95 | As is | in stock |
| P-4149290 | 90 | As is | 100 mg |
| P-454718486 | 90 | As is | in stock |
| P-874588189 | 90 | As is | 895 mg |
| P-436458516 | 95 | As is | in stock |
| P-888187256 | 90 | As is | in stock |
| P-34907551 | 90 | As is | in stock |
| P-868555747 | 97 | As is | in stock |
| P-488551233 | 90 | As is | in stock |
| P-13755003 | 95 | As is | 300 mg |
| P-870641487 | 90 | As is | 100 mg |
| P-596592765 | 90 | As is | 5 g |
| P-588249769 | N/A | As is | by synthesis |
| P-852394594 | N/A | As is | in stock |
| P-854820786 | 95 | As is | by synthesis |
| P-454372261 | 92 | As is | in stock |
| P-13920032 | 92 | As is | 300 mg |
| P-885527653 | 95 | As is | by synthesis |
| P-19339142 | 90 | As is | in stock |
| P-873286066 | N/A | As is | in stock |
| P-22652395 | 90 | As is | in stock |
| P-502359450 | 90 | As is | in stock |
| P-888468652 | 94 | As is | by resynthesis (? - ? days) |
| P-906753740 | 97 | As is | by synthesis |
| P-611417842 | 90 | As is | in stock |
| P-2241286 | 90 | As is | 3.944 g |
| P-464679351 | 90 | As is | 3.944 g |
| P-615405416 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.231 |
| logP | 2.3791 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 53.4566 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
