Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5754399431
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 | 29 USD | 97 | 8 working days | Get Quote |
| 5 mg | 29 USD | 97 | 8 working days | Get Quote |
| 10 mg | 29 USD | 97 | 8 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.
-
MCULE-4205352281
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5754399431.sdf |
| SMILES | MCULE-5754399431.smiles |
| Standard InChI | MCULE-5754399431.inchi |
| InChIKey | MCULE-5754399431.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875763503 | 97 | As is | in stock |
| P-869201066 | 95 | As is | by resynthesis (? - ? days) |
| P-903100229 | 97 | As is | 300 g |
| P-905492207 | 95 | As is | 1000 mg |
| P-610993756 | 90 | As is | 633.97 g |
| P-1270374947 | 97 | As is | in stock |
| P-606888647 | N/A | As is | in stock |
| P-489215608 | 97 | As is | in stock |
| P-596960774 | 97 | As is | 10 g |
| P-1273442606 | 95 | As is | by resynthesis (? - ? days) |
| P-864145970 | 97 | As is | in stock |
| P-580733393 | 97 | As is | 1.6 g |
| P-505448210 | N/A | As is | by resynthesis (? - ? days) |
| P-851295399 | 95 | As is | by synthesis |
| P-868627483 | 97 | As is | in stock |
| P-580407454 | 95 | As is | by resynthesis (? - ? days) |
| P-862090707 | 95 | As is | 186.17 g |
| P-524187171 | 97 | As is | 756 mg |
| P-888844209 | N/A | As is | by synthesis |
| P-500409811 | 98 | As is | by synthesis |
| P-885550675 | 95 | As is | by synthesis |
| P-906808562 | 97 | As is | by synthesis |
| P-611555574 | 90 | As is | in stock |
| P-480363242 | 95 | As is | in stock |
| P-867606647 | 98 | As a main component | in stock |
| P-875765196 | 98 | As a main component | in stock |
| P-588245212 | 99 | As a main component | by resynthesis (? - ? days) |
| P-903102508 | 98 | As a main component | 5 g |
| P-610993760 | 90 | As a main component | 37.83 g |
| P-1270403641 | 98 | As a main component | in stock |
| P-1264206699 | N/A | As a main component | by synthesis |
| P-489216985 | 97 | As a main component | in stock |
| P-596993591 | 98 | As a main component | 8.02 g |
| P-895931115 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864134496 | 95 | As a main component | in stock |
| P-591145843 | 99 | As a main component | by synthesis |
| P-851295398 | 95 | As a main component | by synthesis |
| P-1274921046 | 95 | As a main component | in stock |
| P-901407425 | 95 | As a main component | 14.81 g |
| P-870648854 | N/A | As a main component | in stock |
| P-563564957 | 95 | As a main component | 250 mg |
| P-1272505819 | 95 | As a main component | in stock |
| P-505620908 | 98 | As a main component | in stock |
| P-906900292 | 98 | As a main component | in stock |
| P-855351980 | 90 | As a main component | in stock |
| P-615656267 | 95 | As a main component | unavailable |
| P-1271714450 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 147.129 |
| logP | -0.0366 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 100.62 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 32.4 |
| Atoms | 19 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 9 |
| 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 |
