Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5687758679
Compound
Show structures
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 | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 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.
-
MCULE-3773620396
- Component type: Main
-
MCULE-5768077440
- Component type: Main
-
MCULE-8955898379
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5687758679.sdf |
| SMILES | MCULE-5687758679.smiles |
| Standard InChI | MCULE-5687758679.inchi |
| InChIKey | MCULE-5687758679.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867574506 | 98 | As is | in stock |
| P-875734902 | N/A | As is | in stock |
| P-869187119 | 95 | As is | in stock |
| P-575539657 | 98 | As is | in stock |
| P-903064542 | 98 | As is | 10.5 kg |
| P-606866619 | N/A | As is | in stock |
| P-489225550 | 97 | As is | in stock |
| P-596950689 | 98 | As is | 10 kg |
| P-895957773 | 95 | As is | unavailable |
| P-864116265 | 98 | As is | in stock |
| P-584629430 | 98 | As is | 2.385 kg |
| P-868612237 | 98 | As is | in stock |
| P-905351314 | 95 | As is | 850 g |
| P-862091448 | 95 | As is | 2.00599 kg |
| P-855923569 | 97 | As is | 100 g |
| P-579628429 | 98 | As is | unavailable |
| P-31250816 | 90 | As is | unavailable |
| P-856040202 | 90 | As is | unavailable |
| P-904194711 | 95 | As is | by synthesis |
| P-860789216 | N/A | As is | by synthesis |
| P-855397962 | 95 | As is | in stock |
| P-620224171 | 95 | As is | 1000 mg |
| P-620069441 | 90 | As is | 1000 mg |
| P-885550805 | 95 | As is | by synthesis |
| P-502366852 | 90 | As is | in stock |
| P-867485138 | N/A | As a main component | by synthesis |
| P-31275319 | 90 | As a main component | 10 g |
| P-856039865 | 90 | As a main component | 10 g |
| P-856039866 | 90 | As a main component | 10 g |
| P-31275246 | 90 | As a main component | 10 g |
| P-895328641 | 95 | As a main component | by synthesis |
| P-33227974 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 134.087 |
| logP | -0.8278 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 83.83 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 25.9706 |
| Atoms | 15 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
