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TP-238

CAT: 0931-T34907-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34907-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2415263-04-4
Target
Others, Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic, Others
Bioactivity
TP-238, a potent and selective dual CECR2/BPTF probe, exhibits IC50 values of 30 nM and 350 nM, respectively. Additionally, it inhibits BRD9 with a pIC50 of 5.9, demonstrating lesser activity against another 338 kinases [1] [2].
Smiles
N(CCCN1C=CC=N1)C2=CC(=NC(S(C)(=O)=O)=N2)C3=CC=C(OCCCN(C)C)C=C3
Molecular Formula
C22H30N6O3S
Molecular Weight
458.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine
CAS Number2415263-04-4
PubChem CID137796292
IUPAC Name6-[4-[3-(dimethylamino)propoxy]phenyl]-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrimidin-4-amine
Molecular FormulaC22H30N6O3S
Molecular Weight458.6
XLogP2.4
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count32
Formal Charge0
Complexity636
SMILES
CN(C)CCCOC1=CC=C(C=C1)C2=CC(=NC(=N2)S(=O)(=O)C)NCCCN3C=CC=N3
InChI
InChI=1S/C22H30N6O3S/c1-27(2)13-6-16-31-19-9-7-18(8-10-19)20-17-21(26-22(25-20)32(3,29)30)23-11-4-14-28-15-5-12-24-28/h5,7-10,12,15,17H,4,6,11,13-14,16H2,1-3H3,(H,23,25,26)
InChIKey
MSIJJXOWLFOYIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine
CAS: 2415263-04-4
CID: 137796292
Formula: C22H30N6O3S
MW: 458.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight458.6
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass458.21001001
Monoisotopic Mass458.21001001
Topological Polar Surface Area111 Ų
Heavy Atom Count32
Formal Charge0
Complexity636
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