Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6127475698
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 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 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-6127475698.sdf |
| SMILES | MCULE-6127475698.smiles |
| Standard InChI | MCULE-6127475698.inchi |
| InChIKey | MCULE-6127475698.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867556027 | 90 | As is | in stock |
| P-875714965 | N/A | As is | in stock |
| P-597027373 | 98 | As is | in stock |
| P-505352367 | 97 | As is | in stock |
| P-903043138 | 98 | As is | 500 g |
| P-893520639 | 90 | As is | 1.68968 kg |
| P-580237428 | 95 | As is | by synthesis |
| P-606875791 | N/A | As is | in stock |
| P-489119336 | 97 | As is | in stock |
| P-596943446 | 98 | As is | 300 g |
| P-494347562 | 95 | As is | 202.93 g |
| P-864106972 | 95 | As is | in stock |
| P-481168808 | 95 | As is | 3 g |
| P-580721713 | 98 | As is | 56 g |
| P-851248193 | 95 | As is | by synthesis |
| P-868556698 | 98 | As is | in stock |
| P-861968784 | 97 | As is | 504.734 g |
| P-870656570 | N/A | As is | in stock |
| P-675217819 | 95 | As is | in stock |
| P-523989281 | 90 | As is | 100 mg |
| P-615640974 | 95 | As is | in stock |
| P-579674266 | 95 | As is | by resynthesis (? - ? days) |
| P-31179274 | 90 | As is | 500 mg |
| P-580513419 | 98 | As is | 100 g |
| P-852404531 | N/A | As is | in stock |
| P-904721161 | 90 | As is | in stock |
| P-854732435 | 95 | As is | in stock |
| P-500397139 | 98 | As is | by synthesis |
| P-885551482 | 95 | As is | by synthesis |
| P-596734591 | 90 | As is | 237 g |
| P-502360655 | 90 | As is | in stock |
| P-906765800 | 98 | As is | by synthesis |
| P-611345050 | 90 | As is | in stock |
| P-893646981 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 169.999 |
| logP | -0.3695 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 85.77 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 44.3391 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
