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SCH900776 S-isomer

CAT: 1410-M17644-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M17644-01Size:2 mg
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Description
SCH900776 (S-isomer) is an effective, specific and orally bioavailable inhibitor of checkpoint kinase Chk1 (IC50: 3 nM) .
CAS Number
891494-64-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
376.25
Molecular Formula
C15H18BrN7
Notes
Research use only, not for human use.
Receptor
CDK2| Chk1| Chk2

Chemical Information

6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((3S)-piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine
CAS Number891494-64-7
PubChem CID46239014
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
Molecular FormulaC15H18BrN7
Molecular Weight376.25
XLogP0.8
Topological Polar Surface Area86.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity425
SMILES
CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@H]4CCCNC4
InChI
InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m0/s1
InChIKey
GMIZZEXBPRLVIV-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((3S)-piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine
CAS: 891494-64-7
CID: 46239014
Formula: C15H18BrN7
MW: 376.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight376.25
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass375.08071
Monoisotopic Mass375.08071
Topological Polar Surface Area86.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity425
Isotope Atom Count0
Defined Atom Stereocenter Count1
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
HY-15532B-01SCH900776 (S-isomer)
MBS578560SCH900776 S-isomer
A12703-1SCH900776 (S-isomer) 1mg
A12703-2SCH900776 (S-isomer) 2mg
A12703-100SCH900776 (S-isomer) 100mg
A12703-10mM-DSCH900776 (S-isomer) 10mM * 1mL in DMSO
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A12703-50SCH900776 50mg
A12703-10SCH900776 10mg
A12703-5SCH900776 5mg

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