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UA8967

CAT: 0013-GTR19209765-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209765-01Size:25 mg
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Description
UA8967 is a membrane-active compound with anti-tumor properties, demonstrating cytotoxicity in pancreatic and colon cancer cell lines with IC50 values ranging from 12 to 61 μM over 72 hours. Its mechanism involves plasma membrane disruption without selectively inhibiting macromolecular synthesis. This profile supports its research use in oncology for studying membrane-targeting chemotherapeutics in vitro.
CAS Number
17511-50-1
Smiles
C (C=1C=2C (NC1) =CC=CC2) N3CCN (CC4=CC=CC=C4) CC3
Molecular Formula
C20H23N3
Molecular Weight
305.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-((4-benzylpiperazino)methyl)-1H-indole

structure in first source

CAS Number17511-50-1
PubChem CID563075
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]-1H-indole
Molecular FormulaC20H23N3
Molecular Weight305.4
XLogP3.1
Topological Polar Surface Area22.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity358
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C20H23N3/c1-2-6-17(7-3-1)15-22-10-12-23(13-11-22)16-18-14-21-20-9-5-4-8-19(18)20/h1-9,14,21H,10-13,15-16H2
InChIKey
YHZKIEWEQQRAHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((4-benzylpiperazino)methyl)-1H-indole
CAS: 17511-50-1
CID: 563075
Formula: C20H23N3
MW: 305.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass305.189197746
Monoisotopic Mass305.189197746
Topological Polar Surface Area22.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5812765UA8967

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