Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2679085730
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 | 12 USD | 95 | 22 working days | Get Quote |
| 5 mg | 33 USD | 98 | 16 working days | Get Quote |
| 10 mg | 43 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-2679085730.sdf |
| SMILES | MCULE-2679085730.smiles |
| Standard InChI | MCULE-2679085730.inchi |
| InChIKey | MCULE-2679085730.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867596362 | 95 | As is | in stock |
| P-875755641 | N/A | As is | in stock |
| P-590360586 | 95 | As is | in stock |
| P-903088731 | 99 | As is | 200 mg |
| P-1264050601 | 95 | As is | in stock |
| P-893498462 | 90 | As is | 2.053 g |
| P-606895203 | N/A | As is | in stock |
| P-489201108 | 97 | As is | in stock |
| P-596958310 | 95 | As is | 200 mg |
| P-580193927 | 98 | As is | in stock |
| P-896023706 | 95 | As is | in stock |
| P-868544589 | 99 | As is | in stock |
| P-580711908 | 99 | As is | 225 mg |
| P-851249258 | 95 | As is | by synthesis |
| P-861350736 | 95 | As is | by synthesis |
| P-579479814 | 95 | As is | in stock |
| P-580409267 | 95 | As is | by resynthesis (? - ? days) |
| P-675215790 | 95 | As is | in stock |
| P-524166316 | 95 | As is | 100 mg |
| P-579694334 | 95 | As is | by resynthesis (? - ? days) |
| P-852523052 | N/A | As is | in stock |
| P-895180787 | 95 | As is | in stock |
| P-474025783 | 95 | As is | in stock |
| P-878641731 | 98 | As is | in stock |
| P-579712578 | N/A | As is | in stock |
| P-869128444 | 95 | As is | by synthesis |
| P-892291677 | 95 | As is | unavailable |
| P-888641163 | 95 | As is | 45 mg |
| P-611471118 | 90 | As is | in stock |
| P-611517364 | 90 | As is | in stock |
| P-575295683 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 506.503 |
| logP | 5.1063 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 124.7 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 128.8341 |
| Atoms | 56 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 21 |
| Heteroatoms | 13 |
| N/O atoms | 9 |
| 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 |
