Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6891596695-0
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 | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 14 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-1581573279-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6891596695-0.sdf |
| SMILES | MCULE-6891596695-0.smiles |
| Standard InChI | MCULE-6891596695-0.inchi |
| InChIKey | MCULE-6891596695-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867605071 | 95 | As is | in stock |
| P-875763303 | N/A | As is | in stock |
| P-535626319 | 95 | As is | in stock |
| P-505348146 | 98 | As is | in stock |
| P-505403857 | 99 | As is | in stock |
| P-869338053 | 99 | As is | in stock |
| P-869248343 | 99 | As is | in stock |
| P-869258581 | 95 | As is | in stock |
| P-903100152 | 99 | As is | 7.5 kg |
| P-905477396 | 98 | As is | 1000 g |
| P-893543627 | 90 | As is | 2 g |
| P-489109039 | 97 | As is | in stock |
| P-596960453 | 99 | As is | 50 kg |
| P-580194885 | 98 | As is | in stock |
| P-869787243 | 90 | As is | unavailable |
| P-864110795 | 97 | As is | in stock |
| P-900267574 | N/A | As is | by resynthesis (? - ? days) |
| P-893218497 | 95 | As is | in stock |
| P-893264305 | 95 | As is | by synthesis |
| P-505572540 | 98 | As is | in stock |
| P-454678758 | 90 | As is | in stock |
| P-5068404 | 90 | As is | 28 mg |
| P-436441051 | 90 | As is | 5.3948 kg |
| P-217044 | 90 | As is | 922 mg |
| P-34912229 | 90 | As is | in stock |
| P-580450335 | 99 | As is | in stock |
| P-868592400 | 98 | As is | in stock |
| P-34739594 | 90 | As is | in stock |
| P-580778202 | 90 | As is | by resynthesis (? - ? days) |
| P-851081260 | 90 | As is | in stock |
| P-862020910 | 99 | As is | 24.8613 kg |
| P-889115718 | 99 | As is | 49.5 g |
| P-500417790 | 99 | As is | in stock |
| P-505491667 | 95 | As is | in stock |
| P-502842149 | 90 | As is | in stock |
| P-492218366 | 95 | As is | in stock |
| P-488555990 | 92 | As is | in stock |
| P-488554008 | 90 | As is | in stock |
| P-524443581 | 97 | As is | 373 mg |
| P-31270806 | 90 | As is | 10 g |
| P-613282594 | 95 | As is | by synthesis |
| P-580497791 | 95 | As is | by synthesis |
| P-852607530 | N/A | As is | in stock |
| P-35204905 | 90 | As is | 2.02 kg |
| P-901015995 | 95 | As is | in stock |
| P-854693325 | 95 | As is | in stock |
| P-474024894 | 95 | As is | in stock |
| P-608275376 | 98 | As is | in stock |
| P-617692498 | 95 | As is | 3 g |
| P-12679787 | 90 | As is | 3 g |
| P-454374552 | 92 | As is | in stock |
| P-13718721 | 92 | As is | 300 mg |
| P-500400800 | 98 | As is | by synthesis |
| P-596795245 | 95 | As is | by synthesis |
| P-34121128 | 90 | As is | in stock |
| P-579710519 | N/A | As is | in stock |
| P-892214873 | 95 | As is | by synthesis |
| P-869175548 | 95 | As is | in stock |
| P-892287251 | 95 | As is | 1.295 g |
| P-892311160 | 95 | As is | 1.295 g |
| P-33428337 | 90 | As is | in stock |
| P-502327472 | 90 | As is | in stock |
| P-33162226 | 90 | As is | 258 mg |
| P-611529784 | 90 | As is | in stock |
| P-611438398 | 90 | As is | in stock |
| P-3221545 | 90 | As is | 15.305 g |
| P-3246505 | 90 | As is | 15.305 g |
| P-825306 | 90 | As is | 15.305 g |
| P-867489350 | N/A | As a main component | by synthesis |
| P-895200038 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 171.154 |
| logP | 0.6152 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 83.87 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.2458 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
