Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2639296166-0
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 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 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-2639296166-0.sdf |
| SMILES | MCULE-2639296166-0.smiles |
| Standard InChI | MCULE-2639296166-0.inchi |
| InChIKey | MCULE-2639296166-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867534800 | 98 | As is | in stock |
| P-867587291 | 98 | As is | in stock |
| P-869186729 | 95 | As is | in stock |
| P-535624553 | 99 | As is | in stock |
| P-869254329 | 98 | As is | in stock |
| P-505396631 | 98 | As is | in stock |
| P-893443597 | 90 | As is | 1.89137 kg |
| P-580243601 | 95 | As is | by synthesis |
| P-606865580 | N/A | As is | in stock |
| P-851839397 | N/A | As is | by synthesis |
| P-865910369 | 95 | As is | 20 g |
| P-596935805 | 98 | As is | 700 g |
| P-904963938 | 95 | As is | in stock |
| P-864107738 | 95 | As is | in stock |
| P-580302948 | 95 | As is | by resynthesis (? - ? days) |
| P-905434108 | 97 | As is | 1.00208 kg |
| P-675219193 | 95 | As is | in stock |
| P-887422194 | 95 | As is | by synthesis |
| P-856009343 | 97 | As is | 4.993 g |
| P-855993228 | 98 | As is | 90 mg |
| P-524168127 | 98 | As is | 100 g |
| P-31257810 | 90 | As is | unavailable |
| P-608280103 | 98 | As is | in stock |
| P-885535859 | 95 | As is | by synthesis |
| P-617403112 | N/A | As is | in stock |
| P-851368195 | 98 | As is | 282.3 g |
| P-580050839 | 95 | As is | by synthesis |
| P-594274676 | 95 | As is | by synthesis |
| P-892303450 | 95 | As is | in stock |
| P-869177719 | 95 | As is | in stock |
| P-892294431 | 95 | As is | unavailable |
| P-892296151 | 95 | As is | unavailable |
| P-892335980 | 95 | As is | unavailable |
| P-892338536 | 95 | As is | 151 mg |
| P-906868459 | 95 | As is | by synthesis |
| P-611454738 | 90 | As is | in stock |
| P-611455419 | 90 | As is | in stock |
| P-615447949 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 208.210 |
| logP | 1.6741 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 66.76 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 56.285 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
