Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4163209790
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 | 16 USD | 98 | 22 working days | Get Quote |
| 5 mg | 31 USD | 98 | 20 working days | Get Quote |
| 10 mg | 50 USD | 98 | 20 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-4163209790.sdf |
| SMILES | MCULE-4163209790.smiles |
| Standard InChI | MCULE-4163209790.inchi |
| InChIKey | MCULE-4163209790.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867602934 | 98 | As is | in stock |
| P-875760807 | N/A | As is | in stock |
| P-505394064 | 95 | As is | in stock |
| P-853438508 | 98 | As is | in stock |
| P-903096566 | 99 | As is | 400 mg |
| P-893472633 | 90 | As is | 21.22 g |
| P-606865693 | N/A | As is | in stock |
| P-489147933 | 97 | As is | in stock |
| P-596959774 | 98 | As is | 400 mg |
| P-872722495 | 98 | As is | in stock |
| P-864114816 | 95 | As is | in stock |
| P-907573486 | 98 | As is | by synthesis |
| P-868543881 | 99 | As is | in stock |
| P-580702438 | 99 | As is | 73 mg |
| P-871218982 | N/A | As is | by resynthesis (? - ? days) |
| P-881634027 | 98 | As is | in stock |
| P-851249209 | 95 | As is | by synthesis |
| P-860798003 | 98 | As is | in stock |
| P-861491921 | 95 | As is | by synthesis |
| P-579479213 | 95 | As is | in stock |
| P-675215685 | 95 | As is | in stock |
| P-524166341 | 95 | As is | 50 mg |
| P-579629156 | 98 | As is | unavailable |
| P-852523012 | N/A | As is | in stock |
| P-904640750 | 95 | As is | by synthesis |
| P-854713933 | 95 | As is | in stock |
| P-474027307 | 95 | As is | in stock |
| P-608276512 | 98 | As is | in stock |
| P-885538869 | 95 | As is | by synthesis |
| P-579709943 | N/A | As is | in stock |
| P-869136322 | 95 | As is | by synthesis |
| P-892292288 | 95 | As is | unavailable |
| P-888644720 | 95 | As is | 50 mg |
| P-893989431 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 364.440 |
| logP | 3.1506 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 58.87 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 110.7547 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 24 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
