Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1801575459
Compound
Show structure
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 | 6 USD | 90 | 22 working days | Get Quote |
| 5 mg | 6 USD | 90 | 22 working days | Get Quote |
| 10 mg | 6 USD | 90 | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-1801575459.sdf |
| SMILES | MCULE-1801575459.smiles |
| Standard InChI | MCULE-1801575459.inchi |
| InChIKey | MCULE-1801575459.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587147 | 90 | As is | in stock |
| P-875745854 | N/A | As is | in stock |
| P-869193462 | 95 | As is | in stock |
| P-590399569 | 98 | As is | in stock |
| P-903076237 | 90 | As is | 1.5 kg |
| P-875894798 | N/A | As is | in stock |
| P-606904235 | N/A | As is | in stock |
| P-851949171 | N/A | As is | in stock |
| P-596954558 | 90 | As is | 100 kg |
| P-494331701 | 95 | As is | by resynthesis (? - ? days) |
| P-896033907 | 95 | As is | by synthesis |
| P-613860264 | 90 | As is | 1.03 kg |
| P-580698853 | 98 | As is | 4.13 kg |
| P-901457397 | 95 | As is | by synthesis |
| P-868614893 | 95 | As is | in stock |
| P-580428436 | 95 | As is | by resynthesis (? - ? days) |
| P-861975813 | 98 | As is | 10.4373 kg |
| P-905340327 | 98 | As is | 100 g |
| P-31275169 | 90 | As is | 10 g |
| P-856043609 | 90 | As is | 10 g |
| P-613281436 | 95 | As is | by synthesis |
| P-860789768 | 98 | As is | by synthesis |
| P-852510951 | N/A | As is | in stock |
| P-1263158029 | 95 | As is | by synthesis |
| P-621859316 | 90 | As is | by synthesis |
| P-26434182 | 90 | As is | 1000 mg |
| P-620224760 | 95 | As is | 1000 mg |
| P-885535245 | 95 | As is | by synthesis |
| P-596770703 | 95 | As is | 3.28 kg |
| P-502368546 | 90 | As is | in stock |
| P-906779302 | 98 | As is | by synthesis |
| P-906872202 | 98 | As is | by synthesis |
| P-906823691 | 95 | As is | by synthesis |
| P-906789260 | 97 | As is | by synthesis |
| P-906829451 | 97 | As is | by synthesis |
| P-906802617 | 98 | As is | by synthesis |
| P-906840527 | 98 | As is | by synthesis |
| P-611460352 | 90 | As is | in stock |
| P-868492055 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 200.257 |
| logP | 2.801 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 51.75 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.394 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| 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 |
