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MLS-2384

CAT: 0013-GTR19209169-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209169-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MLS-2384 is a potent small molecule inhibitor targeting both JAK and Src kinase families. Its dual mechanism of action effectively inhibits proliferation in various cancer cell lines in vitro and has shown activity in tumor xenograft models in vivo, supporting its use in oncology and signal transduction research.
CAS Number
1067884-45-0
Smiles
N (\OCCN1CCNCC1) =C\2/C (/NC=3C2=CC=CC3) =C/4\C=5C (NC4=O) =CC (Br) =CC5
Molecular Formula
C22H22BrN5O2
Molecular Weight
468.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 135897898
CAS Number1067884-45-0
PubChem CID135897898
IUPAC Name6-bromo-3-[(3E)-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
Molecular FormulaC22H22BrN5O2
Molecular Weight468.3
XLogP3.4
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity668
SMILES
C1CN(CCN1)CCO/N=C/2\C3=CC=CC=C3N=C2C4=C(NC5=C4C=CC(=C5)Br)O
InChI
InChI=1S/C22H22BrN5O2/c23-14-5-6-15-18(13-14)26-22(29)19(15)21-20(16-3-1-2-4-17(16)25-21)27-30-12-11-28-9-7-24-8-10-28/h1-6,13,24,26,29H,7-12H2/b27-20+
InChIKey
MQNSXNHCCSXFML-NHFJDJAPSA-N
Chemical Structure
2D Structure
2D structure of CID 135897898
CAS: 1067884-45-0
CID: 135897898
Formula: C22H22BrN5O2
MW: 468.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.3
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass467.09569
Monoisotopic Mass467.09569
Topological Polar Surface Area85.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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