Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8807105455
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 | 10 USD | 98 | 15 working days | Get Quote |
| 5 mg | 17 USD | 98 | 20 working days | Get Quote |
| 10 mg | 33 USD | 98 | 15 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-8807105455.sdf |
| SMILES | MCULE-8807105455.smiles |
| Standard InChI | MCULE-8807105455.inchi |
| InChIKey | MCULE-8807105455.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867541444 | 98 | As is | in stock |
| P-875698035 | N/A | As is | in stock |
| P-590397233 | 98 | As is | in stock |
| P-903021319 | 98 | As is | 2 g |
| P-610960918 | 90 | As is | 16.66 g |
| P-606836857 | N/A | As is | in stock |
| P-489136653 | 97 | As is | in stock |
| P-596938326 | 98 | As is | 2 g |
| P-580193095 | 98 | As is | in stock |
| P-864131438 | 95 | As is | in stock |
| P-580716425 | 98 | As is | 1.236 g |
| P-871219450 | N/A | As is | by resynthesis (? - ? days) |
| P-901422572 | 95 | As is | by synthesis |
| P-881634115 | 98 | As is | in stock |
| P-851247392 | 95 | As is | by synthesis |
| P-860798163 | 98 | As is | in stock |
| P-861487789 | 95 | As is | by synthesis |
| P-579478926 | 95 | As is | in stock |
| P-675213746 | 95 | As is | in stock |
| P-504618523 | 90 | As is | by synthesis |
| P-596581493 | 97 | As is | 100 mg |
| P-852522472 | N/A | As is | in stock |
| P-1263153637 | 95 | As is | by synthesis |
| P-854718911 | 95 | As is | in stock |
| P-474020581 | 95 | As is | in stock |
| P-608271166 | 98 | As is | in stock |
| P-885546220 | 95 | As is | by synthesis |
| P-579712838 | N/A | As is | in stock |
| P-589631436 | N/A | As is | in stock |
| P-869132130 | 95 | As is | by synthesis |
| P-892292044 | 95 | As is | unavailable |
| P-888642973 | 95 | As is | 199 mg |
| P-611530061 | 90 | As is | in stock |
| P-575295130 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 433.502 |
| logP | 4.9139 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 13 |
| PSA | 107.45 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 122.2844 |
| Atoms | 59 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 27 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
