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ML311

CAT: 0013-GTR19158427-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158427-05Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML311 is a selective inhibitor of the Mcl-1/Bim interaction.
CAS Number
315698-17-0
Purity
>98% (HPLC)
Solubility
DMSO: 20 mg/mL; Water: Insoluble; Ethanol: 20 mg/mL
Smiles
CCN1CCN (CC1) C (c1ccc (cc1) C (F) (F) F) c1ccc2cccnc2c1O
Molecular Formula
C23H24F3N3O
Molecular Weight
415.45
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
7-[ (4-Ethylpiperazin-1-yl) -[4- (trifluoromethyl) phenyl]methyl]quinolin-8-ol

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...
View on PubChemRaw 3D data
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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Alternative Products

CatalogName
T5108-01ML311
A18364-100ML311 100mg
A18364-50ML311 50mg
A18364-25ML311 25mg
A18364-10ML311 10mg
A18364-5ML311 5mg
A18364-2ML311 2mg
A18364-1ML311 1mg
A18364-10mM-DML311 10mM * 1mL in DMSO

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