Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2120785380
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 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-2120785380.sdf |
| SMILES | MCULE-2120785380.smiles |
| Standard InChI | MCULE-2120785380.inchi |
| InChIKey | MCULE-2120785380.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875734726 | N/A | As is | in stock |
| P-869182685 | 95 | As is | in stock |
| P-579760725 | 98 | As is | in stock |
| P-903064482 | 96 | As is | 400 g |
| P-606843809 | N/A | As is | in stock |
| P-489213589 | 97 | As is | in stock |
| P-596983309 | 98 | As is | 325 g |
| P-895924612 | 95 | As is | by resynthesis (? - ? days) |
| P-869525510 | 90 | As is | 159 mg |
| P-864198326 | 95 | As is | in stock |
| P-4317542 | 90 | As is | 25 mg |
| P-619932413 | 90 | As is | by synthesis |
| P-4819401 | 90 | As is | 28 mg |
| P-46244 | 90 | As is | 4.656 g |
| P-436464224 | 95 | As is | in stock |
| P-851246621 | 95 | As is | by synthesis |
| P-868614939 | 98 | As is | in stock |
| P-34740888 | 90 | As is | by synthesis |
| P-580310360 | 95 | As is | by resynthesis (? - ? days) |
| P-516895288 | 90 | As is | in stock |
| P-516919904 | 95 | As is | 5.09 g |
| P-905336581 | 95 | As is | 5.5 g |
| P-861982241 | 95 | As is | 5.5 g |
| P-502484210 | 95 | As is | by synthesis |
| P-504608310 | 90 | As is | by synthesis |
| P-502797907 | 90 | As is | in stock |
| P-492224312 | 95 | As is | in stock |
| P-870640189 | 95 | As is | 100 mg |
| P-596569904 | 95 | As is | 25 g |
| P-31250191 | 90 | As is | 250 mg |
| P-14054927 | 95 | As is | 218 mg |
| P-601066517 | 90 | As is | 218 mg |
| P-852434705 | N/A | As is | in stock |
| P-863694958 | 95 | As is | in stock |
| P-620215885 | 95 | As is | 5.09 g |
| P-12392594 | 90 | As is | 5.09 g |
| P-856072469 | 95 | As is | in stock |
| P-19207892 | 90 | As is | in stock |
| P-498640189 | 95 | As is | by synthesis |
| P-12327661 | 90 | As is | 26 mg |
| P-33445489 | 90 | As is | in stock |
| P-502357049 | 90 | As is | in stock |
| P-22566665 | 94 | As is | by resynthesis (? - ? days) |
| P-873074680 | 94 | As is | by resynthesis (? - ? days) |
| P-873064361 | 94 | As is | by resynthesis (? - ? days) |
| P-906766383 | 99 | As is | by synthesis |
| P-611384264 | 90 | As is | in stock |
| P-1812451 | 90 | As is | 1.103 g |
| P-868503229 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 195.220 |
| logP | 2.6249 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 41.57 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 59.3247 |
| Atoms | 24 |
| Rings | 3 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| 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 |
