Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4908871872-0
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 | 6 USD | 95 | 14 working days | Get Quote |
| 5 mg | 6 USD | 95 | 14 working days | Get Quote |
| 10 mg | 6 USD | 95 | 14 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-4908871872-0.sdf |
| SMILES | MCULE-4908871872-0.smiles |
| Standard InChI | MCULE-4908871872-0.inchi |
| InChIKey | MCULE-4908871872-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867659409 | 97 | As is | in stock |
| P-875827898 | 97 | As is | in stock |
| P-1275146917 | 95 | As is | in stock |
| P-1275192573 | 98 | As is | in stock |
| P-903202040 | 95 | As is | 1.35 kg |
| P-905486137 | 98 | As is | 10 g |
| P-1270353847 | 95 | As is | in stock |
| P-893337598 | 95 | As is | by synthesis |
| P-606847435 | N/A | As is | in stock |
| P-596971828 | 97 | As is | 1.35 kg |
| P-864163281 | 98 | As is | in stock |
| P-580700178 | 95 | As is | 740 g |
| P-905498458 | N/A | As is | in stock |
| P-454713689 | 90 | As is | in stock |
| P-436462346 | 95 | As is | in stock |
| P-851275148 | 95 | As is | by synthesis |
| P-868645007 | 97 | As is | in stock |
| P-516920721 | 95 | As is | 1000 mg |
| P-428630936 | 90 | As is | in stock |
| P-1264351925 | 95 | As is | 400 g |
| P-862030528 | 95 | As is | 4.28587 kg |
| P-492221057 | 95 | As is | in stock |
| P-502796691 | 90 | As is | in stock |
| P-12513770 | 92 | As is | 211 mg |
| P-524195853 | 95 | As is | 25 g |
| P-856007913 | 95 | As is | 100 mg |
| P-873389950 | 95 | As is | in stock |
| P-852433227 | N/A | As is | by synthesis |
| P-492280545 | 90 | As is | 1000 mg |
| P-34031231 | 90 | As is | 1000 mg |
| P-856065331 | 95 | As is | in stock |
| P-19202696 | 90 | As is | in stock |
| P-596754345 | 95 | As is | 2.658 kg |
| P-23343212 | 90 | As is | in stock |
| P-502355349 | 90 | As is | in stock |
| P-907287858 | 94 | As is | by resynthesis (? - ? days) |
| P-906887871 | 99 | As is | by synthesis |
| P-1406406 | 90 | As is | 2.192 g |
| P-615650297 | 95 | As is | unavailable |
| P-1271594601 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 266.250 |
| logP | 0.8954 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 104.73 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 64.6922 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
