Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1610725971
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 | 15 USD | 99 | 8 working days | Get Quote |
| 5 mg | 27 USD | 99 | 20 working days | Get Quote |
| 10 mg | 39 USD | 99 | 20 working days | Get Quote |
- 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-1610725971.sdf |
| SMILES | MCULE-1610725971.smiles |
| Standard InChI | MCULE-1610725971.inchi |
| InChIKey | MCULE-1610725971.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867616226 | 99 | As is | in stock |
| P-875777190 | 99 | As is | in stock |
| P-595214751 | 95 | As is | by resynthesis (? - ? days) |
| P-872725064 | 98 | As is | in stock |
| P-1264055347 | 99 | As is | in stock |
| P-610959304 | 90 | As is | 70.6 g |
| P-1270365109 | 99 | As is | in stock |
| P-875894712 | 95 | As is | in stock |
| P-868819193 | N/A | As is | in stock |
| P-489237334 | 97 | As is | in stock |
| P-489121774 | 97 | As is | in stock |
| P-868839183 | 99 | As is | 250 mg |
| P-1273268215 | 95 | As is | by resynthesis (? - ? days) |
| P-889567342 | 98 | As is | in stock |
| P-868954774 | 99 | As is | 400 mg |
| P-851249323 | 95 | As is | by synthesis |
| P-860798877 | 98 | As is | in stock |
| P-887189666 | 95 | As is | by synthesis |
| P-579479332 | 95 | As is | in stock |
| P-580320947 | 95 | As is | by resynthesis (? - ? days) |
| P-868079397 | 95 | As is | in stock |
| P-873244350 | 97 | As is | 5 mg |
| P-1272595401 | 97 | As is | 250 mg |
| P-852503548 | 97 | As is | by synthesis |
| P-854719265 | 95 | As is | in stock |
| P-871069535 | 95 | As is | in stock |
| P-608271521 | 98 | As is | in stock |
| P-885538657 | 95 | As is | by synthesis |
| P-579712387 | 98 | As is | in stock |
| P-873280662 | N/A | As is | in stock |
| P-904082909 | 99 | As is | 990 mg |
| P-892296619 | 95 | As is | unavailable |
| P-869161812 | 95 | As is | 170 mg |
| P-888657201 | 95 | As is | 170 mg |
| P-868492588 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 339.319 |
| logP | 3.19028 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 91.45 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 81.9494 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 16 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
