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SD-1029

CAT: 1410-M10623-01Size: 1 EachDry Ice: NoHazardous: No
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Description
SD-1029 (NSC 371488) is a potent inhibitor of Stat3 activation.
CAS Number
118372-34-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
639.3
Molecular Formula
C25H30Cl2N2O3 • 2HBr
Notes
Research use only, not for human use.
Receptor
STAT

Chemical Information

JAK2 Inhibitor III, SD-1029
CAS Number118372-34-2
PubChem CID44543754
IUPAC Name9-(3,4-dichlorophenyl)-2,7-bis[(dimethylamino)methyl]-3,4,5,6,7,9-hexahydro-2H-xanthene-1,8-dione;dihydrobromide
Molecular FormulaC25H32Br2Cl2N2O3
Molecular Weight639.2
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity781
SMILES
CN(C)CC1CCC2=C(C1=O)C(C3=C(O2)CCC(C3=O)CN(C)C)C4=CC(=C(C=C4)Cl)Cl.Br.Br
InChI
InChI=1S/C25H30Cl2N2O3.2BrH/c1-28(2)12-15-6-9-19-22(24(15)30)21(14-5-8-17(26)18(27)11-14)23-20(32-19)10-7-16(25(23)31)13-29(3)4;;/h5,8,11,15-16,21H,6-7,9-10,12-13H2,1-4H3;2*1H
InChIKey
INKLAKXQHDQKKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of JAK2 Inhibitor III, SD-1029
CAS: 118372-34-2
CID: 44543754
Formula: C25H32Br2Cl2N2O3
MW: 639.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight639.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass638.01362
Monoisotopic Mass636.01567
Topological Polar Surface Area49.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity781
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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