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LDC000067

CAT: 0607-B4754-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B4754-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CDK9 inhibitor, novel and highly specific
CAS Number
1073485-20-7
Product Name Alternative
(3-((6-(2-methoxyphenyl)pyrimidin-4-yl)amino)phenyl)methanesulfonamide
Field of Research
Cell Cycle Checkpoint Cyclin-Dependent Kinases
Purity
0.9818
Solubility
insoluble in H2O; insoluble in EtOH; ≥18.52 mg/mL in DMSO
Smiles
COC1=CC=CC=C1C2=CC(NC3=CC=CC(CS(N)(=O)=O)=C3)=NC=N2
Molecular Formula
C18H18N4O3S
Molecular Weight
370.43
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

(3-{[6-(2-Methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide
CAS Number1073485-20-7
PubChem CID25104564
IUPAC Name[3-[[6-(2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]methanesulfonamide
Molecular FormulaC18H18N4O3S
Molecular Weight370.4
XLogP2.2
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity539
SMILES
COC1=CC=CC=C1C2=CC(=NC=N2)NC3=CC=CC(=C3)CS(=O)(=O)N
InChI
InChI=1S/C18H18N4O3S/c1-25-17-8-3-2-7-15(17)16-10-18(21-12-20-16)22-14-6-4-5-13(9-14)11-26(19,23)24/h2-10,12H,11H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKey
GGQCIOOSELPMBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-{[6-(2-Methoxyphenyl)pyrimidin-4-yl]amino}phenyl)methanesulfonamide
CAS: 1073485-20-7
CID: 25104564
Formula: C18H18N4O3S
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass370.10996162
Monoisotopic Mass370.10996162
Topological Polar Surface Area116 Ų
Heavy Atom Count26
Formal Charge0
Complexity539
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
MBS579104LDC000067
A14273-25LDC000067 25mg
A14273-2LDC000067 2mg
A14273-10LDC000067 10mg
A14273-5LDC000067 5mg
A14273-100LDC000067 100mg
A14273-50LDC000067 50mg
MBS130601-01LDC000067(LDC-067)
A14273-10mM-DLDC000067 10mM * 1mL in DMSO

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