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KUNB 31

CAT: 1410-M13541-01Size: 1 EachDry Ice: NoHazardous: No
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Description
KUNB 31 is a potent, isoform-selective Hsp90β inhibitor with Kd of 0.18 uM.
CAS Number
2220263-80-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
322.364
Molecular Formula
C19H18N2O3
Notes
Research use only, not for human use.
Receptor
HSP

Chemical Information

CID 137287276
CAS Number2220263-80-7
PubChem CID137287276
IUPAC Name1,3-dihydroisoindol-2-yl-(4-hydroxy-7-propan-2-yl-1,2-benzoxazol-5-yl)methanone
Molecular FormulaC19H18N2O3
Molecular Weight322.4
XLogP3.6
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity469
SMILES
CC(C)C1=CC(=C(C2=C1ON=C2)O)C(=O)N3CC4=CC=CC=C4C3
InChI
InChI=1S/C19H18N2O3/c1-11(2)14-7-15(17(22)16-8-20-24-18(14)16)19(23)21-9-12-5-3-4-6-13(12)10-21/h3-8,11,22H,9-10H2,1-2H3
InChIKey
MFZKTINXWPQHBG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 137287276
CAS: 2220263-80-7
CID: 137287276
Formula: C19H18N2O3
MW: 322.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass322.13174244
Monoisotopic Mass322.13174244
Topological Polar Surface Area66.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity469
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
MBS3603540-01KUNB 31

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