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RNase L ligand 3

CAT: 0931-T210787-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T210787-01Size:10 mg
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CAS Number
3036649-51-8
Target
DNA/RNA Synthesis, PROTACs
Related Pathways
PROTAC, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
RNase L ligand 3 is an RNase L ligand employed in the synthesis of F3-PEG8-RiboTAC.
Smiles
NC1=C(C2=CC(=CC=C2)C3=CC=C(CN([C@H](C(NC)=O)C4=CC=CC=C4)C)C=C3)SC=C1
Molecular Formula
C27H27N3OS
Molecular Weight
441.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-2-(((3'-(3-aminothiophen-2-yl)-[1,1'-biphenyl]-4-yl)methyl)(methyl)amino)-N-methyl-2-phenylacetamide
CAS Number3036649-51-8
PubChem CID171554074
IUPAC Name(2S)-2-[[4-[3-(3-aminothiophen-2-yl)phenyl]phenyl]methyl-methylamino]-N-methyl-2-phenylacetamide
Molecular FormulaC27H27N3OS
Molecular Weight441.6
XLogP5.1
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity587
SMILES
CNC(=O)[C@H](C1=CC=CC=C1)N(C)CC2=CC=C(C=C2)C3=CC(=CC=C3)C4=C(C=CS4)N
InChI
InChI=1S/C27H27N3OS/c1-29-27(31)25(21-7-4-3-5-8-21)30(2)18-19-11-13-20(14-12-19)22-9-6-10-23(17-22)26-24(28)15-16-32-26/h3-17,25H,18,28H2,1-2H3,(H,29,31)/t25-/m0/s1
InChIKey
STFBMLYEUHZNGW-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-(((3'-(3-aminothiophen-2-yl)-[1,1'-biphenyl]-4-yl)methyl)(methyl)amino)-N-methyl-2-phenylacetamide
CAS: 3036649-51-8
CID: 171554074
Formula: C27H27N3OS
MW: 441.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass441.18748367
Monoisotopic Mass441.18748367
Topological Polar Surface Area86.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-168452RNase L ligand 1
GTR19263298-01RNase L ligand 3
HY-168457RNase L ligand 2
K1093-1000RNase H (RNase-free)
1006-50RNAse
BC0473A-01RNase A

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