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ML311

CAT: 0013-GTR19168636-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168636-01Size:1 mg
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Description
ML311 is a small molecule that selectively disrupts the Mcl-1/Bim protein-protein interaction. This inhibitor is utilized in cancer research to study apoptosis and has been employed in both in vitro cellular assays and in vivo xenograft models to investigate Mcl-1-dependent tumor survival.
CAS Number
315698-17-0
Product Name Alternative
Bcl-2 Family, ML311, ML-311, ML 311, Inhibitor, inhibit, Mcl-1
Field of Research
Cell Biology
Purity
99.75% (May vary between batches)
Solubility
DMSO:50 mg/mL (120.35 mM) ; H2O:Insoluble;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.81 mM) ; Ethanol:20 mg/mL (48.14 mM)
Smiles
CCN1CCN (CC1) C (c1ccc (cc1) C (F) (F) F) c1ccc2cccnc2c1O
Molecular Formula
C23H24F3N3O
Molecular Weight
415.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CAS Number315698-17-0
PubChem CID3384730
IUPAC Name7-[(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
Molecular FormulaC23H24F3N3O
Molecular Weight415.5
XLogP4.4
Topological Polar Surface Area39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity544
SMILES
CCN1CCN(CC1)C(C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=C(C=CC=N4)C=C3)O
InChI
InChI=1S/C23H24F3N3O/c1-2-28-12-14-29(15-13-28)21(17-5-8-18(9-6-17)23(24,25)26)19-10-7-16-4-3-11-27-20(16)22(19)30/h3-11,21,30H,2,12-15H2,1H3
InChIKey
NGAPBLRRJSKIRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[(4-Ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
CAS: 315698-17-0
CID: 3384730
Formula: C23H24F3N3O
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass415.18714688
Monoisotopic Mass415.18714688
Topological Polar Surface Area39.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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