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KS99

CAT: 0931-T70934-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T70934-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1344698-28-7
Target
Others
Related Pathways
Others
Bioactivity
KS99 is a dual inhibitor of BTK and tubulin polymerization.
Smiles
C(N1C=2C(C(=O)C1=O)=CC(Br)=CC2Br)C3=CC=C(CSC#N)C=C3
Molecular Formula
C17H10Br2N2O2S
Molecular Weight
466.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5,7-Dibromo-1-(4-(thiocyanatomethyl)benzyl)indoline-2,3-dione
CAS Number1344698-28-7
PubChem CID54753102
IUPAC Name[4-[(5,7-dibromo-2,3-dioxoindol-1-yl)methyl]phenyl]methyl thiocyanate
Molecular FormulaC17H10Br2N2O2S
Molecular Weight466.1
XLogP4.3
Topological Polar Surface Area86.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity556
SMILES
C1=CC(=CC=C1CN2C3=C(C=C(C=C3Br)Br)C(=O)C2=O)CSC#N
InChI
InChI=1S/C17H10Br2N2O2S/c18-12-5-13-15(14(19)6-12)21(17(23)16(13)22)7-10-1-3-11(4-2-10)8-24-9-20/h1-6H,7-8H2
InChIKey
LRFRSKDYIFHZQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Dibromo-1-(4-(thiocyanatomethyl)benzyl)indoline-2,3-dione
CAS: 1344698-28-7
CID: 54753102
Formula: C17H10Br2N2O2S
MW: 466.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.1
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass465.88092
Monoisotopic Mass463.88297
Topological Polar Surface Area86.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity556
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

Alternative Products

CatalogName
MBS5813475KS99

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