Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8106394039-0
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 | 5 USD | 98 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-8106394039-0.sdf |
| SMILES | MCULE-8106394039-0.smiles |
| Standard InChI | MCULE-8106394039-0.inchi |
| InChIKey | MCULE-8106394039-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867576293 | 97 | As is | in stock |
| P-875736307 | N/A | As is | in stock |
| P-597026719 | 98 | As is | in stock |
| P-869183224 | 95 | As is | in stock |
| P-505391717 | 98 | As is | in stock |
| P-903065994 | 98 | As is | 700 g |
| P-905476891 | 98 | As is | 100 g |
| P-901166913 | 98 | As is | in stock |
| P-580198315 | 95 | As is | 4 g |
| P-606909640 | N/A | As is | in stock |
| P-489109240 | 97 | As is | in stock |
| P-596930913 | 98 | As is | 1000 g |
| P-494345853 | 95 | As is | 15.5 g |
| P-864109468 | 95 | As is | in stock |
| P-580725934 | 98 | As is | 305 g |
| P-492266424 | 95 | As is | in stock |
| P-619934985 | 90 | As is | by synthesis |
| P-851247970 | 95 | As is | by synthesis |
| P-868556712 | 98 | As is | in stock |
| P-580408138 | 95 | As is | by resynthesis (? - ? days) |
| P-861926821 | 97 | As is | 1.10953 kg |
| P-905329216 | 97 | As is | 160 g |
| P-870656662 | N/A | As is | in stock |
| P-524165344 | 98 | As is | 10 g |
| P-575365811 | 98 | As is | 100 mg |
| P-579674259 | 95 | As is | by resynthesis (? - ? days) |
| P-856044379 | 90 | As is | unavailable |
| P-31263844 | 90 | As is | unavailable |
| P-852377824 | N/A | As is | in stock |
| P-854727442 | 95 | As is | in stock |
| P-500398042 | 98 | As is | by synthesis |
| P-520061292 | 90 | As is | in stock |
| P-502329176 | 90 | As is | in stock |
| P-906780952 | 98 | As is | by synthesis |
| P-2516659 | 90 | As is | 14 mg |
| P-615391690 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.020 |
| logP | 0.5811 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 68.7 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.6506 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
