Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3399371085-0
Structure
Show compound
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 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-4842779664-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3399371085-0.sdf |
| SMILES | MCULE-3399371085-0.smiles |
| Standard InChI | MCULE-3399371085-0.inchi |
| InChIKey | MCULE-3399371085-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867570395 | 98 | As is | in stock |
| P-875731056 | 98 | As is | in stock |
| P-580454018 | 95 | As is | unavailable |
| P-1275188296 | 98 | As is | in stock |
| P-1275145945 | 95 | As is | in stock |
| P-903060301 | 98 | As is | 160 g |
| P-905487400 | 97 | As is | 100 g |
| P-893540587 | 90 | As is | 10.3056 kg |
| P-1270389778 | 98 | As is | in stock |
| P-606953184 | N/A | As is | in stock |
| P-489118155 | 97 | As is | in stock |
| P-596949501 | 98 | As is | 160 g |
| P-866726523 | 95 | As is | 4.65 g |
| P-864089520 | 97 | As is | in stock |
| P-580709481 | 98 | As is | 150 g |
| P-851243345 | 95 | As is | by synthesis |
| P-868641021 | 97 | As is | in stock |
| P-580416853 | 95 | As is | by resynthesis (? - ? days) |
| P-905327948 | 98 | As is | 281 g |
| P-861919230 | 98 | As is | 3.32612 kg |
| P-870657880 | N/A | As is | in stock |
| P-454402651 | 90 | As is | 10.37 g |
| P-18792375 | 90 | As is | 10.37 g |
| P-608080131 | 95 | As is | in stock |
| P-31197366 | 90 | As is | 10 mg |
| P-874466089 | 95 | As is | by synthesis |
| P-1272562214 | 99 | As is | 10 g |
| P-852378088 | 99 | As is | by synthesis |
| P-428036226 | 95 | As is | in stock |
| P-854734017 | 95 | As is | in stock |
| P-1263958962 | 90 | As is | in stock |
| P-885546193 | 95 | As is | by synthesis |
| P-596789051 | 95 | As is | 862.4 g |
| P-1274331204 | 95 | As is | unavailable |
| P-1274339774 | 95 | As is | 1.051 g |
| P-1274351676 | 95 | As is | 1.051 g |
| P-502363946 | 90 | As is | in stock |
| P-906777551 | 98 | As is | by synthesis |
| P-611381461 | 90 | As is | in stock |
| P-580449982 | 97 | As is | in stock |
| P-615635433 | 95 | As is | unavailable |
| P-1271647450 | 98 | As is | in stock |
| P-867692205 | 98 | As a main component | in stock |
| P-875871020 | 98 | As a main component | in stock |
| P-874625983 | 98 | As a main component | by resynthesis (? - ? days) |
| P-903345364 | 98 | As a main component | 1.5 kg |
| P-1270392515 | 98 | As a main component | in stock |
| P-851939216 | N/A | As a main component | in stock |
| P-865937378 | 98 | As a main component | 125 g |
| P-1273253325 | 95 | As a main component | 100 g |
| P-666961662 | 98 | As a main component | 456 g |
| P-889440804 | 98 | As a main component | 494.12 g |
| P-1264369101 | 98 | As a main component | 150 g |
| P-596584668 | 95 | As a main component | 157 mg |
| P-874447879 | 95 | As a main component | in stock |
| P-906767788 | 98 | As a main component | by synthesis |
| P-1271635325 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 144.173 |
| logP | 1.8723 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 17.82 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.564 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
