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Comtifator

CAT: 0931-T211639-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T211639-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2518151-57-8
Target
PERK
Related Pathways
Apoptosis
Bioactivity
Comtifator (Example 77) is a modulator of the integrated stress response pathway and can be used to study diseases associated with this response.
Smiles
O(CCOC(F)(F)F)C=1OC([C@H]2CC[C@H](NC(COC3=CC(F)=C(Cl)C=C3)=O)CN2)=NN1
Molecular Formula
C18H19ClF4N4O5
Molecular Weight
482.81
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

XJ83R4LQ52
CAS Number2518151-57-8
PubChem CID155234733
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
Molecular FormulaC18H19ClF4N4O5
Molecular Weight482.8
XLogP2.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity608
SMILES
C1C[C@@H](NC[C@H]1NC(=O)COC2=CC(=C(C=C2)Cl)F)C3=NN=C(O3)OCCOC(F)(F)F
InChI
InChI=1S/C18H19ClF4N4O5/c19-12-3-2-11(7-13(12)20)30-9-15(28)25-10-1-4-14(24-8-10)16-26-27-17(32-16)29-5-6-31-18(21,22)23/h2-3,7,10,14,24H,1,4-6,8-9H2,(H,25,28)/t10-,14+/m0/s1
InChIKey
WPGMYLIESAIOHF-IINYFYTJSA-N
Chemical Structure
2D Structure
2D structure of XJ83R4LQ52
CAS: 2518151-57-8
CID: 155234733
Formula: C18H19ClF4N4O5
MW: 482.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.8
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass482.0980101
Monoisotopic Mass482.0980101
Topological Polar Surface Area108 Ų
Heavy Atom Count32
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19263989-01Comtifator

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