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BCL6 inhibitor 8c

CAT: 1410-M13392-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A novel potent, in vivo-active BCL6 inhibitor with IC50 of 0.1 uM in ELISA assays.
CAS Number
2130878-25-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
417.846
Molecular Formula
C20H20ClN3O5
Notes
Research use only, not for human use.
Receptor
Bcl-2

Chemical Information

BCL6-IN-8c
CAS Number2130878-25-8
PubChem CID131801156
IUPAC Name6-[2-chloro-4-nitro-5-(oxan-4-yloxy)anilino]-3,4-dihydro-1H-quinolin-2-one
Molecular FormulaC20H20ClN3O5
Molecular Weight417.8
XLogP3.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity597
SMILES
C1COCCC1OC2=C(C=C(C(=C2)NC3=CC4=C(C=C3)NC(=O)CC4)Cl)[N+](=O)[O-]
InChI
InChI=1S/C20H20ClN3O5/c21-15-10-18(24(26)27)19(29-14-5-7-28-8-6-14)11-17(15)22-13-2-3-16-12(9-13)1-4-20(25)23-16/h2-3,9-11,14,22H,1,4-8H2,(H,23,25)
InChIKey
RRELDGDKULRRDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BCL6-IN-8c
CAS: 2130878-25-8
CID: 131801156
Formula: C20H20ClN3O5
MW: 417.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.8
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass417.1091484
Monoisotopic Mass417.1091484
Topological Polar Surface Area105 Ų
Heavy Atom Count29
Formal Charge0
Complexity597
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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