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DTRIM24

CAT: 0127-BUP04081-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04081-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2170695-14-2
Purity
=98%
Smiles
O(C1=C(NS(=O)(=O)C2=CC(C(NCCOCCOCCOCC(N[C@H](C(=O)N3[C@H](C(NCC4=CC=C(C=C4)C=5SC=NC5C)=O)C[C@@H](O)C3)C(C)(C)C)=O)=O)=CC=C2)C=C6C(=C1)N(C)C(=O)N6C)C7=CC(OCCC)=CC=C7

Chemical Information

dTRIM24
CAS Number2170695-14-2
PubChem CID131954388
IUPAC Name(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[3-[[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]sulfamoyl]benzoyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular FormulaC55H68N8O13S2
Molecular Weight1113.3
XLogP4.8
Topological Polar Surface Area293
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count27
Heavy Atom Count78
Formal Charge0
Complexity2080
SMILES
CCCOC1=CC(=CC=C1)OC2=CC3=C(C=C2NS(=O)(=O)C4=CC=CC(=C4)C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C)N(C(=O)N3C)C
InChI
InChI=1S/C55H68N8O13S2/c1-8-20-75-40-12-10-13-41(28-40)76-47-30-45-44(61(6)54(69)62(45)7)29-43(47)60-78(70,71)42-14-9-11-38(26-42)51(66)56-19-21-72-22-23-73-24-25-74-33-48(65)59-50(55(3,4)5)53(68)63-32-39(64)27-46(63)52(67)57-31-36-15-17-37(18-16-36)49-35(2)58-34-77-49/h9-18,26,28-30,34,39,46,50,60,64H,8,19-25,27,31-33H2,1-7H3,(H,56,66)(H,57,67)(H,59,65)/t39-,46+,50-/m1/s1
InChIKey
QUQTXFIMYFMULC-OGOZKGDESA-N
Chemical Structure
2D Structure
2D structure of dTRIM24
CAS: 2170695-14-2
CID: 131954388
Formula: C55H68N8O13S2
MW: 1113.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1113.3
XLogP34.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count16
Rotatable Bond Count27
Exact Mass1112.43472660
Monoisotopic Mass1112.43472660
Topological Polar Surface Area293 Ų
Heavy Atom Count78
Formal Charge0
Complexity2080
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-111519-01DTRIM24
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A19547-25DTRIM24 25mg
A19547-50DTRIM24 50mg
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A19547-5DTRIM24 5mg
A19547-1DTRIM24 1mg

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