Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5513675173
Compound
Show structures
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 | 7 USD | 99 | 14 working days | Get Quote |
| 5 mg | 7 USD | 99 | 14 working days | Get Quote |
| 10 mg | 7 USD | 99 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-4067718142
- Component type: Unknown
-
MCULE-8980784028
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5513675173.sdf |
| SMILES | MCULE-5513675173.smiles |
| Standard InChI | MCULE-5513675173.inchi |
| InChIKey | MCULE-5513675173.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867584063 | 98 | As is | in stock |
| P-875742475 | N/A | As is | in stock |
| P-869184456 | 95 | As is | in stock |
| P-505354018 | 98 | As is | in stock |
| P-869335521 | 99 | As is | in stock |
| P-903072820 | 99 | As is | 3.5 kg |
| P-617061771 | N/A | As is | in stock |
| P-872713919 | N/A | As is | in stock |
| P-596953582 | 99 | As is | 3.5 kg |
| P-589660509 | 95 | As is | by resynthesis (? - ? days) |
| P-864151390 | 98 | As is | in stock |
| P-619928181 | 90 | As is | by synthesis |
| P-868596040 | 98 | As is | in stock |
| P-905356170 | 98 | As is | 50 g |
| P-896536952 | 98 | As is | 30.335 kg |
| P-494299766 | 98 | As is | in stock |
| P-870657096 | N/A | As is | in stock |
| P-505502751 | 95 | As is | in stock |
| P-855992551 | 98 | As is | 100 mg |
| P-524163809 | 98 | As is | 1000 g |
| P-608116181 | 98 | As is | 5 kg |
| P-31251172 | 90 | As is | unavailable |
| P-852550249 | N/A | As is | in stock |
| P-899991940 | 95 | As is | by synthesis |
| P-502331921 | 90 | As is | in stock |
| P-888498717 | 94 | As is | by resynthesis (? - ? days) |
| P-906759707 | 99 | As is | by synthesis |
| P-611436474 | 90 | As is | in stock |
| P-588802416 | N/A | As is | by synthesis |
| P-868503250 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 133.151 |
| logP | 1.2663 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 41.57 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 38.8547 |
| Atoms | 17 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
