Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1080742368-0
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 | 11 USD | 98 | 22 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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.
| Name | File |
|---|---|
| SDF | MCULE-1080742368-0.sdf |
| SMILES | MCULE-1080742368-0.smiles |
| Standard InChI | MCULE-1080742368-0.inchi |
| InChIKey | MCULE-1080742368-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661689 | 98 | As is | in stock |
| P-875830676 | 98 | As is | in stock |
| P-1275193315 | 98 | As is | in stock |
| P-872728880 | 98 | As is | in stock |
| P-1264049574 | 99 | As is | in stock |
| P-893591431 | 90 | As is | 14.561 g |
| P-1270395630 | 98 | As is | in stock |
| P-580234780 | 95 | As is | by synthesis |
| P-606863280 | N/A | As is | in stock |
| P-489149901 | 97 | As is | in stock |
| P-438400755 | 85 | As is | 100 mg |
| P-596985874 | 97 | As is | 10 g |
| P-889453155 | 98 | As is | by synthesis |
| P-860053950 | 98 | As is | by synthesis |
| P-580724780 | 98 | As is | 2.4 g |
| P-900267648 | N/A | As is | by resynthesis (? - ? days) |
| P-901493620 | 95 | As is | by synthesis |
| P-893233403 | 95 | As is | in stock |
| P-452656380 | 98 | As is | in stock |
| P-868630261 | 98 | As is | in stock |
| P-868659075 | 95 | As is | in stock |
| P-580302166 | 95 | As is | by resynthesis (? - ? days) |
| P-901407653 | 97 | As is | 50 g |
| P-608220571 | 95 | As is | in stock |
| P-505524630 | 95 | As is | in stock |
| P-856009604 | 97 | As is | 100 mg |
| P-579627225 | 95 | As is | in stock |
| P-1272588165 | 95 | As is | 5 g |
| P-852465843 | 95 | As is | by synthesis |
| P-854691853 | 95 | As is | in stock |
| P-901019370 | 95 | As is | in stock |
| P-474020756 | 95 | As is | in stock |
| P-608276260 | 98 | As is | in stock |
| P-889880925 | 95 | As is | by synthesis |
| P-617401999 | 98 | As is | in stock |
| P-516409555 | 80 | As is | 37 mg |
| P-869175874 | 95 | As is | in stock |
| P-892289754 | 95 | As is | unavailable |
| P-464634968 | 95 | As is | 124 mg |
| P-892319074 | 95 | As is | 124 mg |
| P-33162661 | 90 | As is | 325 mg |
| P-611401390 | 90 | As is | in stock |
| P-1271662384 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 410.458 |
| logP | 5.089 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 100.13 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 119.991 |
| Atoms | 56 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 26 |
| 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 |
