Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9858785956-0
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 | 16 USD | 98 | 22 working days | Get Quote |
| 5 mg | 45 USD | 98 | 22 working days | Get Quote |
| 10 mg | 61 USD | 98 | 12 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-2415537897-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9858785956-0.sdf |
| SMILES | MCULE-9858785956-0.smiles |
| Standard InChI | MCULE-9858785956-0.inchi |
| InChIKey | MCULE-9858785956-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867537549 | 98 | As is | in stock |
| P-875692538 | 98 | As is | in stock |
| P-1275159746 | 98 | As is | in stock |
| P-874610856 | 98 | As is | by resynthesis (? - ? days) |
| P-580194226 | 98 | As is | in stock |
| P-903014070 | 98 | As is | 15 g |
| P-1266976766 | 97 | As is | 1000 mg |
| P-1270310569 | 99 | As is | in stock |
| P-606919581 | N/A | As is | in stock |
| P-489135461 | 97 | As is | in stock |
| P-619135996 | 98 | As is | 5 g |
| P-1273266764 | 95 | As is | by resynthesis (? - ? days) |
| P-864116856 | 95 | As is | in stock |
| P-868544907 | 99 | As is | in stock |
| P-580719139 | 98 | As is | 10.077 g |
| P-893238741 | 95 | As is | in stock |
| P-881634124 | 98 | As is | in stock |
| P-851260964 | 95 | As is | by synthesis |
| P-860799094 | 98 | As is | in stock |
| P-579479435 | 95 | As is | in stock |
| P-500142415 | 98 | As is | in stock |
| P-1273138985 | 98 | As is | 15 g |
| P-675215898 | 95 | As is | in stock |
| P-524167293 | 95 | As is | 10 mg |
| P-895182425 | 95 | As is | in stock |
| P-474027823 | 95 | As is | in stock |
| P-608270673 | 98 | As is | in stock |
| P-869136509 | 95 | As is | 1.162 g |
| P-892292310 | 95 | As is | 1.162 g |
| P-888644806 | 95 | As is | 1.162 g |
| P-868492537 | 98 | As is | in stock |
| P-1275010846 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 463.554 |
| logP | 6.0022 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 132.38 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 128.0881 |
| Atoms | 58 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 25 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| 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 |
