Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5199503530-0
Structure
Show compound
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 | 29 USD | N/A | 22 working days | Get Quote |
| 5 mg | 56 USD | N/A | 22 working days | Get Quote |
| 10 mg | 85 USD | 99 | 10 working days | Get Quote |
- 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-5199503530-0.sdf |
| SMILES | MCULE-5199503530-0.smiles |
| Standard InChI | MCULE-5199503530-0.inchi |
| InChIKey | MCULE-5199503530-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867622553 | N/A | As is | in stock |
| P-875784618 | 99 | As is | in stock |
| P-869312776 | 95 | As is | by resynthesis (? - ? days) |
| P-1264053057 | 99 | As is | in stock |
| P-610965952 | 90 | As is | 2.756 g |
| P-1270280813 | 99 | As is | in stock |
| P-606917955 | N/A | As is | in stock |
| P-489126573 | 97 | As is | in stock |
| P-489236039 | 97 | As is | in stock |
| P-865917635 | 99 | As is | 100 mg |
| P-1273261097 | 95 | As is | by resynthesis (? - ? days) |
| P-905460226 | 95 | As is | in stock |
| P-580725151 | 99 | As is | 48 mg |
| P-871218551 | N/A | As is | by resynthesis (? - ? days) |
| P-901439508 | 95 | As is | by synthesis |
| P-851257369 | 95 | As is | by synthesis |
| P-860799549 | 98 | As is | in stock |
| P-861365564 | 95 | As is | by synthesis |
| P-608497350 | 95 | As is | in stock |
| P-868079100 | 95 | As is | in stock |
| P-855925542 | 97 | As is | 50 mg |
| P-1272598913 | 95 | As is | 100 mg |
| P-852529306 | 95 | As is | by synthesis |
| P-854719053 | 95 | As is | in stock |
| P-474024910 | 95 | As is | in stock |
| P-888169955 | 98 | As is | by synthesis |
| P-579712704 | 98 | As is | in stock |
| P-589631572 | 98 | As is | in stock |
| P-886932349 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 484.542 |
| logP | 5.54488 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 108.87 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 131.4414 |
| Atoms | 57 |
| Rings | 5 |
| Heavy atoms | 34 |
| Hydrogen atoms | 23 |
| Heteroatoms | 10 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
