Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7989451000-0
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 | 12 USD | 98 | 15 working days | Get Quote |
| 5 mg | 25 USD | 98 | 14 working days | Get Quote |
| 10 mg | 33 USD | 98 | 20 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.
-
1
MCULE-4584117080-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7989451000-0.sdf |
| SMILES | MCULE-7989451000-0.smiles |
| Standard InChI | MCULE-7989451000-0.inchi |
| InChIKey | MCULE-7989451000-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886495957 | N/A | As is | by synthesis |
| P-1265661389 | 95 | As is | by synthesis |
| P-1263084279 | N/A | As is | by synthesis |
| P-905531786 | 95 | As is | by synthesis |
| P-867689189 | 98 | Main component | in stock |
| P-875867796 | 98 | Main component | in stock |
| P-903338455 | 98 | Main component | 3 g |
| P-893511793 | 90 | Main component | 14.94 g |
| P-1270322009 | 98 | Main component | in stock |
| P-606929322 | N/A | Main component | in stock |
| P-865935247 | 98 | Main component | 500 mg |
| P-1273451204 | 95 | Main component | by resynthesis (? - ? days) |
| P-596277545 | 90 | Main component | unavailable |
| P-864191530 | 95 | Main component | in stock |
| P-590596108 | 98 | Main component | 1.77 g |
| P-3839100 | 90 | Main component | unavailable |
| P-887194867 | 95 | Main component | by synthesis |
| P-862146094 | 98 | Main component | 3 g |
| P-13903311 | 92 | Main component | 284 mg |
| P-855926875 | 97 | Main component | 1 mg |
| P-854721280 | 95 | Main component | in stock |
| P-619673074 | 98 | Main component | in stock |
| P-18865044 | 90 | Main component | in stock |
| P-892295876 | 95 | Main component | unavailable |
| P-594274346 | 95 | Main component | 150 mg |
| P-888656783 | 95 | Main component | 150 mg |
| P-22444570 | 90 | Main component | 8 mg |
| P-3243281 | 90 | Main component | 103 mg |
| P-544627 | 90 | Main component | 103 mg |
| P-1271702032 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 267.713 |
| logP | 2.9272 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 96.91 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 73.5648 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
