Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9258708920
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 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-9258708920.sdf |
| SMILES | MCULE-9258708920.smiles |
| Standard InChI | MCULE-9258708920.inchi |
| InChIKey | MCULE-9258708920.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867588388 | 98 | As is | in stock |
| P-875748046 | N/A | As is | in stock |
| P-903078993 | 98 | As is | 13.5 kg |
| P-606856592 | N/A | As is | in stock |
| P-489151376 | 97 | As is | in stock |
| P-596955461 | 98 | As is | 13.5 kg |
| P-864183684 | 95 | As is | in stock |
| P-584628192 | 98 | As is | 625 g |
| P-504745961 | 90 | As is | 5 mg |
| P-868615556 | 98 | As is | in stock |
| P-580279328 | 95 | As is | by resynthesis (? - ? days) |
| P-905320118 | 95 | As is | in stock |
| P-494300608 | 98 | As is | in stock |
| P-505493610 | 95 | As is | in stock |
| P-502842700 | 90 | As is | in stock |
| P-454415719 | 97 | As is | unavailable |
| P-454348026 | 97 | As is | 100 mg |
| P-613281357 | 95 | As is | by synthesis |
| P-852510976 | N/A | As is | in stock |
| P-874447467 | 95 | As is | in stock |
| P-579723708 | 90 | As is | in stock |
| P-579727132 | 90 | As is | in stock |
| P-500403986 | 98 | As is | by synthesis |
| P-885536439 | 95 | As is | by synthesis |
| P-23343243 | 90 | As is | in stock |
| P-502332701 | 90 | As is | in stock |
| P-906771484 | 98 | As is | by synthesis |
| P-666974569 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 213.299 |
| logP | 3.2367 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 54.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 56.7587 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| 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 |
