Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8347028169
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 | 15 USD | 98 | 22 working days | Get Quote |
| 5 mg | 39 USD | 98 | 22 working days | Get Quote |
| 10 mg | 56 USD | 98 | 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.
-
MCULE-3346953736
- Component type: Main
-
MCULE-7375968961
- Component type: Main
-
MCULE-5937227314
- Component type: Main
-
MCULE-5581702718
- Component type: Main
-
MCULE-1911753791
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8347028169.sdf |
| SMILES | MCULE-8347028169.smiles |
| Standard InChI | MCULE-8347028169.inchi |
| InChIKey | MCULE-8347028169.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867691794 | 98 | As is | in stock |
| P-875870532 | N/A | As is | in stock |
| P-869322092 | 95 | As is | in stock |
| P-903345849 | 98 | As is | 1.25 g |
| P-1264053413 | 95 | As is | in stock |
| P-893300797 | N/A | As is | in stock |
| P-606834247 | N/A | As is | in stock |
| P-900251149 | 98 | As is | 5 g |
| P-864191573 | 95 | As is | in stock |
| P-907575061 | 98 | As is | in stock |
| P-868545455 | 98 | As is | in stock |
| P-590598414 | 98 | As is | 330 mg |
| P-901436790 | 95 | As is | by synthesis |
| P-851338872 | 95 | As is | by synthesis |
| P-861286398 | 98 | As is | in stock |
| P-608495372 | 95 | As is | in stock |
| P-868078959 | 95 | As is | in stock |
| P-855924169 | 97 | As is | 100 mg |
| P-854712330 | 95 | As is | in stock |
| P-1263158624 | 95 | As is | in stock |
| P-871073978 | 95 | As is | in stock |
| P-619673531 | 98 | As is | in stock |
| P-617404424 | N/A | As is | in stock |
| P-906797173 | 98 | As is | by synthesis |
| P-907477336 | 90 | As a main component | 562 mg |
| P-889796711 | 95 | As a main component | by synthesis |
| P-851316039 | 95 | As a main component | by synthesis |
| P-851316056 | 95 | As a main component | by synthesis |
| P-900265388 | 95 | As a main component | in stock |
| P-871073979 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 395.405 |
| logP | 4.224 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 75.72 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 106.3034 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 19 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
