Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2087791673-1
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 | 10 USD | 98 | 8 working days | Get Quote |
| 5 mg | 10 USD | 98 | 8 working days | Get Quote |
| 10 mg | 10 USD | 98 | 8 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.
-
MCULE-1155454458-0
- Component type: Main
-
MCULE-9282849595-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2087791673-1.sdf |
| SMILES | MCULE-2087791673-1.smiles |
| Standard InChI | MCULE-2087791673-1.inchi |
| InChIKey | MCULE-2087791673-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1264054921 | 99 | As is | in stock |
| P-905480261 | 98 | As is | 1000 g |
| P-580721394 | 98 | As is | 4.7 kg |
| P-905500927 | N/A | As is | in stock |
| P-881631365 | 98 | As is | in stock |
| P-868576584 | 97 | As is | in stock |
| P-579478271 | 95 | As is | in stock |
| P-905361458 | 98 | As is | 8.725 kg |
| P-861976517 | 98 | As is | 30.9437 kg |
| P-493677476 | N/A | As is | in stock |
| P-854693045 | 95 | As is | in stock |
| P-902978874 | 95 | As is | in stock |
| P-617402205 | 98 | As is | in stock |
| P-580726592 | 98 | As a main component | 1.15 kg |
| P-580699464 | 97 | As a main component | 635 g |
| P-591089407 | 98 | As a main component | by synthesis |
| P-868573138 | 95 | As a main component | in stock |
| P-868625406 | 98 | As a main component | in stock |
| P-905389776 | 97 | As a main component | 15.3078 kg |
| P-1273118587 | 97 | As a main component | 10 g |
| P-608098431 | 95 | As a main component | in stock |
| P-579661727 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1272595942 | 95 | As a main component | 1000 g |
| P-852468135 | 95 | As a main component | by synthesis |
| P-852505808 | 95 | As a main component | by synthesis |
| P-904073561 | 95 | As a main component | in stock |
| P-906873482 | 97 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 155.155 |
| logP | 0.0644 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 92.0 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 37.6469 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
