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PLX7904

CAT: 0926-TFC46584-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-TFC46584-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1393465-84-3
MDL Number
MFCD29472265
Smiles
CCN (C) S (=O) (=O) NC1=C (C (=C (C=C1) F) C (=O) C2=CNC3=C2C=C (C=N3) C4=CN=C (N=C4) C5CC5) F
Molecular Formula
C24H22F2N6O3S
Molecular Weight
512.53 g/mol
Controlled
No

Chemical Information

5-(2-cyclopropylpyrimidin-5-yl)-3-(3-((ethyl(methyl)sulfamoyl)amino)-2,6-difluorobenzoyl)-1H-pyrrolo(2,3-b)pyridine
CAS Number1393465-84-3
PubChem CID90116945
IUPAC Name5-(2-cyclopropylpyrimidin-5-yl)-3-[3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluorobenzoyl]-1H-pyrrolo[2,3-b]pyridine
Molecular FormulaC24H22F2N6O3S
Molecular Weight512.5
XLogP2.6
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity895
SMILES
CCN(C)S(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CN=C(N=C4)C5CC5)F
InChI
InChI=1S/C24H22F2N6O3S/c1-3-32(2)36(34,35)31-19-7-6-18(25)20(21(19)26)22(33)17-12-30-24-16(17)8-14(9-29-24)15-10-27-23(28-11-15)13-4-5-13/h6-13,31H,3-5H2,1-2H3,(H,29,30)
InChIKey
DKNZQPXIIHLUHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-cyclopropylpyrimidin-5-yl)-3-(3-((ethyl(methyl)sulfamoyl)amino)-2,6-difluorobenzoyl)-1H-pyrrolo(2,3-b)pyridine
CAS: 1393465-84-3
CID: 90116945
Formula: C24H22F2N6O3S
MW: 512.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.5
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass512.14421608
Monoisotopic Mass512.14421608
Topological Polar Surface Area129 Ų
Heavy Atom Count36
Formal Charge0
Complexity895
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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B6177-100PLX7904
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A15855-50PLX7904 50mg
A15855-25PLX7904 25mg
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A15855-10PLX7904 10mg
A15855-10mM-DPLX7904 10mM * 1mL in DMSO

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