Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4438549273
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 | 6 USD | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 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-4438549273.sdf |
| SMILES | MCULE-4438549273.smiles |
| Standard InChI | MCULE-4438549273.inchi |
| InChIKey | MCULE-4438549273.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867538877 | 98 | As is | in stock |
| P-875695229 | N/A | As is | in stock |
| P-869185173 | 98 | As is | in stock |
| P-505353832 | 99 | As is | in stock |
| P-903016403 | 99 | As is | 9 kg |
| P-580243539 | 95 | As is | by synthesis |
| P-606848683 | N/A | As is | in stock |
| P-489215388 | 97 | As is | in stock |
| P-596937473 | 99 | As is | 250 kg |
| P-589657988 | 95 | As is | by resynthesis (? - ? days) |
| P-901455906 | 95 | As is | by synthesis |
| P-868576659 | 98 | As is | in stock |
| P-862011660 | 95 | As is | 91.5174 kg |
| P-905341044 | 95 | As is | 1.1 kg |
| P-524163744 | 99 | As is | 500 g |
| P-855992537 | 99 | As is | 100 mg |
| P-856043290 | 90 | As is | 10 g |
| P-31275099 | 90 | As is | 10 g |
| P-613104653 | 90 | As is | 191 mg |
| P-601084590 | 95 | As is | 191 mg |
| P-580465804 | N/A | As is | by synthesis |
| P-852488571 | N/A | As is | in stock |
| P-902978386 | 95 | As is | in stock |
| P-584618039 | 95 | As is | in stock |
| P-620056334 | 90 | As is | 1000 mg |
| P-620222707 | 95 | As is | 1000 mg |
| P-885558651 | 95 | As is | by synthesis |
| P-13230408 | 90 | As is | 3.569 g |
| P-869147606 | 95 | As is | by synthesis |
| P-888649377 | 95 | As is | unavailable |
| P-502368529 | 90 | As is | in stock |
| P-22450306 | 90 | As is | 155 mg |
| P-906900528 | 99 | As is | in stock |
| P-611479289 | 90 | As is | in stock |
| P-893995466 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.183 |
| logP | 1.2598 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 52.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.001 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
