Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5590967773-0
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 | 14 USD | 95 | 14 working days | Get Quote |
| 5 mg | 14 USD | 95 | 14 working days | Get Quote |
| 10 mg | 14 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-5590967773-0.sdf |
| SMILES | MCULE-5590967773-0.smiles |
| Standard InChI | MCULE-5590967773-0.inchi |
| InChIKey | MCULE-5590967773-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266031021 | 95 | As is | in stock |
| P-890143608 | 95 | As is | in stock |
| P-615725342 | 95 | As is | by resynthesis (? - ? days) |
| P-903057665 | 95 | As is | 10 g |
| P-893494360 | 90 | As is | 161.375 g |
| P-1270316673 | 95 | As is | in stock |
| P-608439474 | 95 | As is | 1000 mg |
| P-606854539 | N/A | As is | in stock |
| P-489176406 | 97 | As is | in stock |
| P-892188336 | 95 | As is | 10 g |
| P-1273467415 | 95 | As is | by resynthesis (? - ? days) |
| P-904961595 | 95 | As is | in stock |
| P-890241474 | 95 | As is | 2.702 g |
| P-878236086 | 95 | As is | by synthesis |
| P-905265371 | 95 | As is | in stock |
| P-580436686 | 95 | As is | by resynthesis (? - ? days) |
| P-1273117087 | 95 | As is | 1000 mg |
| P-861985227 | 95 | As is | 70.475 g |
| P-856075598 | 95 | As is | in stock |
| P-1272579249 | 95 | As is | 5 g |
| P-852441264 | 95 | As is | by synthesis |
| P-896630434 | 95 | As is | in stock |
| P-856064979 | 95 | As is | in stock |
| P-611562297 | 90 | As is | in stock |
| P-1271703021 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 138.124 |
| logP | 0.1037 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 63.08 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 33.5768 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
