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PD-321852

CAT: 1410-M15356-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M15356-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, reasonably selective Chk1 inhibitor with cell IC50 of 5 nM.
CAS Number
622856-21-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
468.33
Molecular Formula
C24H19Cl2N3O3
Notes
Research use only, not for human use.
Receptor
Chk

Chemical Information

4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-(methylamino)propyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CAS Number622856-21-7
PubChem CID11612456
IUPAC Name4-(2,6-dichlorophenyl)-9-hydroxy-6-[3-(methylamino)propyl]pyrrolo[3,4-c]carbazole-1,3-dione
Molecular FormulaC24H19Cl2N3O3
Molecular Weight468.3
XLogP4.5
Topological Polar Surface Area83.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity729
SMILES
CNCCCN1C2=C(C=C(C=C2)O)C3=C1C=C(C4=C3C(=O)NC4=O)C5=C(C=CC=C5Cl)Cl
InChI
InChI=1S/C24H19Cl2N3O3/c1-27-8-3-9-29-17-7-6-12(30)10-13(17)20-18(29)11-14(19-15(25)4-2-5-16(19)26)21-22(20)24(32)28-23(21)31/h2,4-7,10-11,27,30H,3,8-9H2,1H3,(H,28,31,32)
InChIKey
WEIYKGMSZPBORY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-(methylamino)propyl)pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione
CAS: 622856-21-7
CID: 11612456
Formula: C24H19Cl2N3O3
MW: 468.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.3
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass467.0803469
Monoisotopic Mass467.0803469
Topological Polar Surface Area83.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity729
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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