Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7969751778
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 | 33 USD | 95 | 25 working days | Get Quote |
| 5 mg | 33 USD | 95 | 25 working days | Get Quote |
| 10 mg | 33 USD | 95 | 25 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-7969751778.sdf |
| SMILES | MCULE-7969751778.smiles |
| Standard InChI | MCULE-7969751778.inchi |
| InChIKey | MCULE-7969751778.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867572598 | 97 | As is | in stock |
| P-875732969 | 98 | As is | in stock |
| P-869184822 | 95 | As is | in stock |
| P-535622432 | 97 | As is | in stock |
| P-903062490 | 98 | As is | 75 g |
| P-893571186 | 90 | As is | 105.49 g |
| P-606929402 | N/A | As is | in stock |
| P-489145412 | 97 | As is | in stock |
| P-873290756 | 98 | As is | 75 g |
| P-864123001 | 95 | As is | in stock |
| P-868955801 | 98 | As is | 35 g |
| P-886855691 | 95 | As is | by synthesis |
| P-868572696 | 97 | As is | in stock |
| P-580424467 | 95 | As is | by resynthesis (? - ? days) |
| P-579805066 | 90 | As is | in stock |
| P-580089905 | 95 | As is | 2.18 g |
| P-862033204 | 98 | As is | 75 g |
| P-505545558 | 95 | As is | in stock |
| P-870580463 | 95 | As is | in stock |
| P-870569208 | 90 | As is | in stock |
| P-855932920 | 97 | As is | 10 g |
| P-580471527 | 95 | As is | by synthesis |
| P-852600367 | N/A | As is | in stock |
| P-428003044 | 90 | As is | 34.9 kg |
| P-902981350 | 95 | As is | by synthesis |
| P-620221464 | 95 | As is | 2.18 g |
| P-617666301 | 90 | As is | 2.18 g |
| P-856072961 | 95 | As is | in stock |
| P-596730928 | 90 | As is | in stock |
| P-873286108 | N/A | As is | in stock |
| P-23116434 | 90 | As is | in stock |
| P-906784623 | 98 | As is | by synthesis |
| P-611469723 | 90 | As is | in stock |
| P-886945382 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 253.138 |
| logP | 2.992 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 19.03 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 63.4747 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
