Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9731450397-0
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 | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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-9731450397-0.sdf |
| SMILES | MCULE-9731450397-0.smiles |
| Standard InChI | MCULE-9731450397-0.inchi |
| InChIKey | MCULE-9731450397-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867644173 | 97 | As is | in stock |
| P-875810292 | 98 | As is | in stock |
| P-597016699 | 98 | As is | unavailable |
| P-1275195308 | 98 | As is | in stock |
| P-903170991 | 98 | As is | 10 g |
| P-893443428 | 90 | As is | 537.092 g |
| P-907314425 | 95 | As is | by synthesis |
| P-1270396781 | 98 | As is | in stock |
| P-606904704 | N/A | As is | in stock |
| P-489182577 | 97 | As is | in stock |
| P-596969522 | 97 | As is | 200 g |
| P-494350426 | 95 | As is | 8.69 g |
| P-596498769 | 90 | As is | 1000 mg |
| P-596468971 | 90 | As is | 1000 mg |
| P-864115933 | 95 | As is | in stock |
| P-580728621 | 98 | As is | 32.6 g |
| P-577132954 | 90 | As is | in stock |
| P-1272253524 | 90 | As is | 1000 mg |
| P-505592852 | 97 | As is | in stock |
| P-436475322 | 95 | As is | in stock |
| P-851248735 | 95 | As is | by synthesis |
| P-861272331 | 95 | As is | in stock |
| P-868643029 | 97 | As is | in stock |
| P-580424968 | 95 | As is | by resynthesis (? - ? days) |
| P-579804071 | 90 | As is | in stock |
| P-861949242 | 97 | As is | 229.592 g |
| P-905331322 | 97 | As is | 136 g |
| P-502455241 | 95 | As is | by synthesis |
| P-492214429 | 95 | As is | in stock |
| P-502738535 | 90 | As is | in stock |
| P-488548169 | 90 | As is | in stock |
| P-13599111 | 92 | As is | 300 mg |
| P-454415045 | 95 | As is | 3.591 g |
| P-18815083 | 95 | As is | 3.591 g |
| P-608086673 | 95 | As is | in stock |
| P-1267083696 | 95 | As is | 30.71 g |
| P-25748301 | 90 | As is | 213 mg |
| P-467977339 | 95 | As is | 213 mg |
| P-580487959 | N/A | As is | by synthesis |
| P-1272563903 | N/A | As is | 2 g |
| P-852380843 | N/A | As is | by synthesis |
| P-854734271 | 95 | As is | in stock |
| P-492286174 | 95 | As is | 3.1 g |
| P-26550713 | 90 | As is | 500 mg |
| P-888902803 | N/A | As is | in stock |
| P-454367263 | 92 | As is | in stock |
| P-13728921 | 92 | As is | 300 mg |
| P-885516105 | 95 | As is | by synthesis |
| P-19151790 | 90 | As is | in stock |
| P-23298471 | 90 | As is | in stock |
| P-502340350 | 90 | As is | in stock |
| P-903638807 | 94 | As is | by resynthesis (? - ? days) |
| P-906776928 | 98 | As is | by synthesis |
| P-3248112 | 90 | As is | 12.262 g |
| P-615649921 | 95 | As is | unavailable |
| P-893966125 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 208.239 |
| logP | 2.2463 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 93.45 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.3039 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| 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 |
