Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4080557175
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 | 40 USD | 95 | 7 working days | Get Quote |
| 5 mg | 63 USD | 98 | 16 working days | Get Quote |
| 10 mg | 115 USD | 98 | 16 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-9818118162
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4080557175.sdf |
| SMILES | MCULE-4080557175.smiles |
| Standard InChI | MCULE-4080557175.inchi |
| InChIKey | MCULE-4080557175.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893148615 | N/A | As is | by synthesis |
| P-580411121 | 95 | As is | by resynthesis (? - ? days) |
| P-895199527 | 95 | As is | by synthesis |
| P-869129335 | 95 | As is | by synthesis |
| P-888641672 | 95 | As is | unavailable |
| P-867646109 | 98 | As a main component | in stock |
| P-875813632 | N/A | As a main component | in stock |
| P-505399695 | 98 | As a main component | in stock |
| P-903174262 | 98 | As a main component | 200 mg |
| P-1264047002 | 95 | As a main component | in stock |
| P-893457617 | 90 | As a main component | 3.187 g |
| P-489142715 | 97 | As a main component | in stock |
| P-873296431 | 98 | As a main component | 500 mg |
| P-864131375 | 95 | As a main component | in stock |
| P-868544239 | 99 | As a main component | in stock |
| P-901420247 | 95 | As a main component | by synthesis |
| P-851249248 | 95 | As a main component | by synthesis |
| P-860797600 | 98 | As a main component | in stock |
| P-579478928 | 95 | As a main component | in stock |
| P-580423507 | 95 | As a main component | by resynthesis (? - ? days) |
| P-675216068 | 95 | As a main component | in stock |
| P-524169161 | 98 | As a main component | 50 mg |
| P-852523045 | N/A | As a main component | in stock |
| P-854714085 | 95 | As a main component | in stock |
| P-608277260 | 98 | As a main component | in stock |
| P-885536264 | 95 | As a main component | by synthesis |
| P-579709910 | N/A | As a main component | in stock |
| P-869161947 | 95 | As a main component | by synthesis |
| P-892296879 | 95 | As a main component | unavailable |
| P-888657339 | 95 | As a main component | 201 mg |
| P-611451798 | 90 | As a main component | in stock |
| P-611526638 | 90 | As a main component | in stock |
| P-854633811 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 392.490 |
| logP | 4.1493 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 61.8 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 118.8012 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 28 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
