Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5503603733-0
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 | 13 USD | 98 | 22 working days | Get Quote |
| 5 mg | 23 USD | 98 | 22 working days | Get Quote |
| 10 mg | 38 USD | 98 | 22 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-9714106075-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5503603733-0.sdf |
| SMILES | MCULE-5503603733-0.smiles |
| Standard InChI | MCULE-5503603733-0.inchi |
| InChIKey | MCULE-5503603733-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867691425 | 98 | As is | in stock |
| P-875870293 | 98 | As is | in stock |
| P-874601528 | 98 | As is | by resynthesis (? - ? days) |
| P-1264054148 | 95 | As is | in stock |
| P-893534556 | 90 | As is | 6 g |
| P-1270283884 | 98 | As is | in stock |
| P-606931404 | N/A | As is | in stock |
| P-865937776 | 98 | As is | 250 mg |
| P-1273455986 | 95 | As is | by resynthesis (? - ? days) |
| P-1273457772 | 95 | As is | by resynthesis (? - ? days) |
| P-889568196 | 95 | As is | in stock |
| P-590715166 | 98 | As is | 1.266 g |
| P-871212111 | 95 | As is | by synthesis |
| P-861379309 | 95 | As is | by synthesis |
| P-608495396 | 95 | As is | in stock |
| P-862147660 | 98 | As is | 1.25 g |
| P-855925834 | 97 | As is | 100 mg |
| P-1275598906 | 95 | As is | by synthesis |
| P-895184271 | 95 | As is | in stock |
| P-872669036 | 95 | As is | in stock |
| P-617403971 | 98 | As is | in stock |
| P-892295765 | 95 | As is | unavailable |
| P-594274206 | 95 | As is | 69 mg |
| P-888656745 | 95 | As is | 69 mg |
| P-906838912 | 98 | As is | by synthesis |
| P-1271663662 | 98 | As is | in stock |
| P-867694110 | N/A | As a main component | in stock |
| P-875873610 | 98 | As a main component | in stock |
| P-874605383 | N/A | As a main component | by resynthesis (? - ? days) |
| P-1264055499 | 99 | As a main component | in stock |
| P-904321289 | 90 | As a main component | 1.747 g |
| P-1270294221 | 98 | As a main component | in stock |
| P-888934220 | N/A | As a main component | in stock |
| P-895110502 | N/A | As a main component | 250 mg |
| P-1273262040 | 95 | As a main component | by resynthesis (? - ? days) |
| P-889779646 | 95 | As a main component | in stock |
| P-892412439 | 98 | As a main component | 1.012 g |
| P-887185849 | 95 | As a main component | by synthesis |
| P-873244215 | 97 | As a main component | 5 mg |
| P-1275598960 | 95 | As a main component | by synthesis |
| P-854713507 | 95 | As a main component | in stock |
| P-872669037 | 95 | As a main component | in stock |
| P-904251299 | 95 | As a main component | unavailable |
| P-892255327 | 95 | As a main component | 50 mg |
| P-892339680 | 95 | As a main component | 50 mg |
| P-1271671606 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 297.737 |
| logP | 3.7163 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 60.91 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 84.6844 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
