Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8161361642
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 | 70 USD | 95 | 15 working days | Get Quote |
| 5 mg | 70 USD | 95 | 15 working days | Get Quote |
| 10 mg | 70 USD | 95 | 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.
-
MCULE-5210089066
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8161361642.sdf |
| SMILES | MCULE-8161361642.smiles |
| Standard InChI | MCULE-8161361642.inchi |
| InChIKey | MCULE-8161361642.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875812403 | N/A | As is | in stock |
| P-615711332 | 95 | As is | in stock |
| P-903173347 | 95 | As is | 5 g |
| P-893526670 | 90 | As is | 39.391 g |
| P-606864520 | N/A | As is | in stock |
| P-619162153 | 95 | As is | 5 g |
| P-494339789 | 95 | As is | by resynthesis (? - ? days) |
| P-864201143 | 95 | As is | in stock |
| P-613859386 | 95 | As is | 51 mg |
| P-861567715 | 95 | As is | by synthesis |
| P-861484000 | 95 | As is | by synthesis |
| P-580317551 | 95 | As is | by resynthesis (? - ? days) |
| P-889360581 | 98 | As is | 53 g |
| P-18810349 | 95 | As is | 1.514 g |
| P-454411490 | 95 | As is | 1.514 g |
| P-852424343 | N/A | As is | in stock |
| P-895222916 | 95 | As is | in stock |
| P-888896130 | N/A | As is | in stock |
| P-615458476 | 95 | As is | in stock |
| P-1263099824 | N/A | As a main component | by synthesis |
| P-905581821 | 95 | As a main component | by synthesis |
| P-895665662 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 165.146 |
| logP | 0.9824 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 67.26 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 41.3908 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
