Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8125309549
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 | 92 | 18 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-8125309549.sdf |
| SMILES | MCULE-8125309549.smiles |
| Standard InChI | MCULE-8125309549.inchi |
| InChIKey | MCULE-8125309549.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867417014 | 90 | As is | by synthesis |
| P-890019878 | N/A | As is | by synthesis |
| P-904629373 | 95 | As is | in stock |
| P-904772781 | N/A | As is | by synthesis |
| P-596516996 | 90 | As is | 1000 mg |
| P-596446310 | 90 | As is | 1000 mg |
| P-905604732 | 95 | As is | by synthesis |
| P-579487177 | 90 | As is | 60 mg |
| P-890205550 | 90 | As is | in stock |
| P-503397744 | 90 | As is | by synthesis |
| P-502757108 | 90 | As is | in stock |
| P-492218892 | 95 | As is | in stock |
| P-488546065 | 90 | As is | in stock |
| P-13266651 | 95 | As is | 300 mg |
| P-524171661 | 95 | As is | unavailable |
| P-14191063 | 90 | As is | 100 mg |
| P-852402229 | N/A | As is | in stock |
| P-863975617 | 95 | As is | by synthesis |
| P-617685251 | 95 | As is | 1.3 g |
| P-578147782 | 90 | As is | 1.3 g |
| P-454366074 | 92 | As is | in stock |
| P-445314584 | 92 | As is | 300 mg |
| P-491071141 | 95 | As is | by synthesis |
| P-19010235 | 90 | As is | in stock |
| P-23333665 | 90 | As is | in stock |
| P-502348951 | 90 | As is | in stock |
| P-903643916 | 94 | As is | by resynthesis (? - ? days) |
| P-903644914 | 94 | As is | by resynthesis (? - ? days) |
| P-855221513 | 90 | As is | in stock |
| P-3221271 | 90 | As is | 604 mg |
| P-2376948 | 90 | As is | 604 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 249.648 |
| logP | 2.4719 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 48.42 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 63.0105 |
| Atoms | 25 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
