Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4040183917
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-4040183917.sdf |
| SMILES | MCULE-4040183917.smiles |
| Standard InChI | MCULE-4040183917.inchi |
| InChIKey | MCULE-4040183917.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867560230 | 98 | As is | in stock |
| P-875721428 | N/A | As is | in stock |
| P-597023133 | 97 | As is | in stock |
| P-597020624 | 98 | As is | in stock |
| P-535626259 | 95 | As is | in stock |
| P-505351838 | 99 | As is | in stock |
| P-903050423 | 98 | As is | 997.38 g |
| P-901164244 | 98 | As is | in stock |
| P-580198226 | 95 | As is | 5 g |
| P-606872403 | N/A | As is | in stock |
| P-489151312 | 97 | As is | in stock |
| P-596927728 | 98 | As is | 1000 g |
| P-494322633 | 95 | As is | 108.1 g |
| P-864107072 | 98 | As is | in stock |
| P-580733283 | 98 | As is | 974 g |
| P-893250833 | 95 | As is | by synthesis |
| P-851249534 | 95 | As is | by synthesis |
| P-868590428 | 95 | As is | in stock |
| P-580406072 | 95 | As is | by resynthesis (? - ? days) |
| P-861959212 | 98 | As is | 537.9 g |
| P-905332355 | 98 | As is | 537.9 g |
| P-870657198 | N/A | As is | in stock |
| P-901801895 | 90 | As is | 10 g |
| P-901783764 | 90 | As is | 10 g |
| P-505508662 | 95 | As is | in stock |
| P-454330935 | 90 | As is | 100 mg |
| P-608080315 | 97 | As is | 500 g |
| P-31258056 | 90 | As is | unavailable |
| P-580513273 | 97 | As is | 52.8 g |
| P-852385945 | N/A | As is | in stock |
| P-428002900 | 90 | As is | 10.6 kg |
| P-854731550 | 95 | As is | in stock |
| P-888861342 | N/A | As is | in stock |
| P-500370306 | 98 | As is | by synthesis |
| P-885549268 | 95 | As is | by synthesis |
| P-896078425 | N/A | As is | 14.901 g |
| P-613814778 | 95 | As is | in stock |
| P-498669915 | 98 | As is | 1.2385 kg |
| P-502362348 | 90 | As is | in stock |
| P-23112983 | 94 | As is | by resynthesis (? - ? days) |
| P-611366674 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 175.986 |
| logP | 1.9832 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 12.89 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 31.895 |
| Atoms | 11 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 3 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
