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MCL-1/BCL-2-IN-2

CAT: 1410-M33012-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M33012-01Size:2 mg
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Description
MCL-1/BCL-2-IN-2 is a potent and selective dual inhibitor of Bcl-2 and Mcl-1.
CAS Number
2163793-44-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
427.31
Molecular Formula
C20H15BrN2O2S
Notes
Research use only, not for human use.
Receptor
BCL

Chemical Information

Mcl-1/bcl-2-IN-2
CAS Number2163793-44-8
PubChem CID145712376
IUPAC Name2-(2-aminoethyl)-6-(4-bromophenyl)sulfanylbenzo[de]isoquinoline-1,3-dione
Molecular FormulaC20H15BrN2O2S
Molecular Weight427.3
XLogP4
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity552
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCN)SC4=CC=C(C=C4)Br
InChI
InChI=1S/C20H15BrN2O2S/c21-12-4-6-13(7-5-12)26-17-9-8-16-18-14(17)2-1-3-15(18)19(24)23(11-10-22)20(16)25/h1-9H,10-11,22H2
InChIKey
LPOALFWTLPKKNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mcl-1/bcl-2-IN-2
CAS: 2163793-44-8
CID: 145712376
Formula: C20H15BrN2O2S
MW: 427.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.3
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass426.00376
Monoisotopic Mass426.00376
Topological Polar Surface Area88.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity552
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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Alternative Products

CatalogName
T62443-01Bcl-2/Mcl-1-IN-2
HY-129700-01MCL-1/BCL-2-IN-2
HY-144430Bcl-2/Mcl-1-IN-1
T11968-01MCL-1/BCL-2-IN-1
HY-159513Bcl-2/Mcl-1-IN-4
HY-129701-01MCL-1/BCL-2-IN-3
MBS3842844-01MCL-1/BCL-2-IN-4
MBS5805618Bcl-2/Mcl-1-IN-3

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