Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9980046334-0
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 | 9 USD | 97 | 14 working days | Get Quote |
| 5 mg | 9 USD | 97 | 14 working days | Get Quote |
| 10 mg | 9 USD | 97 | 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.
-
1
MCULE-5832294538-0
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9980046334-0.sdf |
| SMILES | MCULE-9980046334-0.smiles |
| Standard InChI | MCULE-9980046334-0.inchi |
| InChIKey | MCULE-9980046334-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270456443 | 95 | As is | by synthesis |
| P-1268900431 | 95 | As is | by synthesis |
| P-867558515 | 95 | Main component | in stock |
| P-875717713 | 95 | Main component | in stock |
| P-1275174843 | 99 | Main component | in stock |
| P-1275153888 | 95 | Main component | in stock |
| P-903046394 | 97 | Main component | 300 g |
| P-893520632 | 90 | Main component | 1.6126 kg |
| P-1270328198 | 95 | Main component | in stock |
| P-580240935 | 95 | Main component | by synthesis |
| P-606949339 | N/A | Main component | in stock |
| P-489167672 | 97 | Main component | in stock |
| P-596927473 | 97 | Main component | 1000 g |
| P-494348965 | 95 | Main component | 82.5 g |
| P-864133638 | 95 | Main component | in stock |
| P-505573125 | 98 | Main component | in stock |
| P-580090533 | N/A | Main component | in stock |
| P-454702338 | 90 | Main component | in stock |
| P-436451731 | 95 | Main component | in stock |
| P-868583413 | 97 | Main component | in stock |
| P-34743320 | 90 | Main component | by synthesis |
| P-580784732 | 90 | Main component | by resynthesis (? - ? days) |
| P-580772057 | 90 | Main component | in stock |
| P-580406386 | 95 | Main component | by resynthesis (? - ? days) |
| P-889112902 | 97 | Main component | 263 g |
| P-870658913 | 98 | Main component | in stock |
| P-890210414 | 90 | Main component | in stock |
| P-579521519 | 90 | Main component | 13.5 g |
| P-505494291 | 95 | Main component | in stock |
| P-488548664 | 90 | Main component | in stock |
| P-454408401 | 95 | Main component | 707 mg |
| P-454332743 | 95 | Main component | 707 mg |
| P-579616218 | 95 | Main component | in stock |
| P-613284137 | 95 | Main component | by synthesis |
| P-580512359 | 97 | Main component | in stock |
| P-1272571298 | 95 | Main component | 500 g |
| P-852406015 | 95 | Main component | by synthesis |
| P-888861411 | N/A | Main component | in stock |
| P-454367637 | 92 | Main component | in stock |
| P-500375592 | 98 | Main component | by synthesis |
| P-904091501 | 97 | Main component | 3 kg |
| P-22772581 | 90 | Main component | in stock |
| P-502358576 | 90 | Main component | in stock |
| P-888376718 | 94 | Main component | by resynthesis (? - ? days) |
| P-867586089 | 97 | Main component as a main component | in stock |
| P-875744519 | 97 | Main component as a main component | in stock |
| P-611624178 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-903075660 | 98 | Main component as a main component | 50 g |
| P-1270391257 | 97 | Main component as a main component | in stock |
| P-606947376 | N/A | Main component as a main component | in stock |
| P-597009461 | 97 | Main component as a main component | 25 g |
| P-494336798 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-892443973 | 90 | Main component as a main component | unavailable |
| P-889566244 | 95 | Main component as a main component | in stock |
| P-901924621 | 97 | Main component as a main component | 8.48 g |
| P-871217584 | 95 | Main component as a main component | by synthesis |
| P-868611306 | 98 | Main component as a main component | in stock |
| P-580303441 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-905349085 | 97 | Main component as a main component | 11 g |
| P-862049257 | 97 | Main component as a main component | 52.538 g |
| P-675501096 | 95 | Main component as a main component | in stock |
| P-596569714 | 97 | Main component as a main component | 1000 mg |
| P-870640156 | 97 | Main component as a main component | 100 mg |
| P-579628984 | 96 | Main component as a main component | in stock |
| P-428001564 | 90 | Main component as a main component | in stock |
| P-895222804 | 95 | Main component as a main component | in stock |
| P-871026208 | 90 | Main component as a main component | 1.784 g |
| P-500385116 | 98 | Main component as a main component | by synthesis |
| P-675093078 | 90 | Main component as a main component | in stock |
| P-906777672 | 98 | Main component as a main component | by synthesis |
| P-611557517 | 90 | Main component as a main component | in stock |
| P-1271645586 | 97 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 152.033 |
| logP | 2.0135 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 31.9744 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 6 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
