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Home > Encyclopedia > N,N′-trans-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide]

N,N′-trans-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide]

N,N′-trans-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide] structure

N,N′-trans-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide] 

structure
  • CAS No:

    1597403-47-8

  • Formula:

    C22H24Cl2N2O4

  • Chemical Name:

    N,N′-trans-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide]

  • Synonyms:

    Acetamide,N,N′-trans-1,4-cyclohexanediylbis[2-(4-chlorophenoxy)-;N,N′-trans-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide];SMDC 750213;ISRIB

  • Categories:

    Biochemical Engineering  >  Inhibitors

Description

ISRIB (trans-isomer) is a potent inhibitor of PERK with an IC50 of 5 nM.

N,N′-trans-1,4-Cyclohexanediylbis[2-(4-chlorophenoxy)acetamide] Basic Attributes

451.344

451.34

Characteristics

76.7

4.8

1.33±0.1 g/cm3(Predicted)

719.0±60.0 °C(Predicted)

388.6±32.9 °C

1.603

Drug Information

2-(4-chlorophenoxy)-N-(4-(2-(4-chlorophenoxy)acetamido)cyclohexyl)acetamide

Computed Properties

Molecular Weight:451.3
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:450.1113126
Monoisotopic Mass:450.1113126
Topological Polar Surface Area:76.7
Heavy Atom Count:30
Complexity:493
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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