Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9698129539
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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 14 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-9698129539.sdf |
| SMILES | MCULE-9698129539.smiles |
| Standard InChI | MCULE-9698129539.inchi |
| InChIKey | MCULE-9698129539.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867588686 | 95 | As is | in stock |
| P-852186525 | N/A | As is | by synthesis |
| P-867482286 | N/A | As is | by synthesis |
| P-875747652 | N/A | As is | in stock |
| P-590411991 | 95 | As is | in stock |
| P-903078450 | 97 | As is | 125 g |
| P-606852758 | N/A | As is | in stock |
| P-489202972 | 97 | As is | in stock |
| P-596955297 | 97 | As is | 150 g |
| P-895924775 | 95 | As is | by resynthesis (? - ? days) |
| P-864138814 | 97 | As is | in stock |
| P-889740346 | 95 | As is | 25 g |
| P-580700097 | 98 | As is | 34.165 g |
| P-454728318 | 90 | As is | in stock |
| P-436472083 | 95 | As is | 3 g |
| P-34859160 | 90 | As is | in stock |
| P-868608574 | 95 | As is | in stock |
| P-862069121 | 98 | As is | 197.151 g |
| P-870646415 | N/A | As is | in stock |
| P-854062301 | 90 | As is | in stock |
| P-865979842 | 95 | As is | 300 mg |
| P-524201228 | 98 | As is | 25 g |
| P-524189329 | 97 | As is | 10 g |
| P-852532191 | N/A | As is | in stock |
| P-854755496 | 95 | As is | in stock |
| P-674717871 | 92 | As is | in stock |
| P-885538242 | 95 | As is | by synthesis |
| P-19626800 | 90 | As is | in stock |
| P-873228091 | 90 | As is | in stock |
| P-888453640 | 94 | As is | by resynthesis (? - ? days) |
| P-611441669 | 90 | As is | in stock |
| P-854979998 | 90 | As is | in stock |
| P-855081923 | 90 | As is | in stock |
| P-888274451 | 90 | As is | 110 mg |
| P-868506933 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 145.156 |
| logP | 0.3766 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 66.4 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 35.7295 |
| Atoms | 21 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
