Xct790

Base Information

Chemical Name:Xct790
CAS No.:796844-24-1
Molecular Formula:C₂₃H₁₃F₉N₄O₃S
Molecular Weight:596.433
Hs Code.:
European Community (EC) Number:635-221-7
UNII:A4CE428LGJ
Nikkaji Number:J2.069.499H
Wikipedia:XCT-790
Wikidata:Q8041720
Pharos Ligand ID:ZUB59136QR7U
ChEMBL ID:CHEMBL189753

Synonyms:XCT 790;XCT-790;XCT790

Suppliers and Price of Xct790

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
XCT 790
10mg
$ 438.00

Tocris
XCT790 ≥99%(HPLC)
50
$ 789.00

Sigma-Aldrich
XCT790 ≥98% (HPLC), solid
25 mg
$ 717.00

Sigma-Aldrich
XCT790 ≥98% (HPLC), solid
5 mg
$ 186.00

Total 30 raw suppliers

Chemical Property of Xct790

Chemical Property:

XLogP3:6.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:7
Exact Mass:596.05646492
Heavy Atom Count:40
Complexity:966

Purity/Quality:

99%, ^*data from raw suppliers

XCT 790 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F
Isomeric SMILES:COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F

Technology Process of Xct790

There total 4 articles about Xct790 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 862179-86-0
2-cyano-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)acetamide

: 796844-14-9
4-((2,4-bis(trifluoromethyl)benzyl)oxy)-3-methoxybenzaldehyde

: 796844-24-1
(2E)-3-(4-{[2,4-bis(trifluoromethyl)benzyl]oxy}-3-methoxyphenyl)-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 60 ℃; for 20h;
DOI:10.1021/jm049334f

Reference yield:

: 121-33-5,8014-42-4
vanillin

: 796844-24-1
(2E)-3-(4-{[2,4-bis(trifluoromethyl)benzyl]oxy}-3-methoxyphenyl)-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / K₂CO₃ / acetonitrile; dimethylformamide / 19 h / 80 °C

2: (i-Pr)2NEt / dimethylformamide / 20 h / 60 °C

With potassium carbonate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; acetonitrile; 2: Knoevenagel condensation;
DOI:10.1021/jm049334f

Reference yield:

: 140690-56-8
2,4-bis(trifluoromethyl)benzyl bromide

: 796844-24-1
(2E)-3-(4-{[2,4-bis(trifluoromethyl)benzyl]oxy}-3-methoxyphenyl)-2-cyano-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acrylamide

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / K₂CO₃ / acetonitrile; dimethylformamide / 19 h / 80 °C

2: (i-Pr)2NEt / dimethylformamide / 20 h / 60 °C

With potassium carbonate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; acetonitrile; 2: Knoevenagel condensation;
DOI:10.1021/jm049334f