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DC-BPi-03

CAT: 0931-T73288-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T73288-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2758411-46-8
Target
Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic
Purity
0.9896
Bioactivity
DC-BPi-03 is a potent BPTF-BRD inhibitor, exhibiting an IC50 of 698.3 nM and a Kd of 2.81 μM.
Smiles
O=S(=O)(C=1N=C(C=C(N1)C2=CC=C3NC=CC3=C2)NC)C
Molecular Formula
C14H14N4O2S
Molecular Weight
302.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DC-BPi-03
CAS Number2758411-46-8
PubChem CID155903113
IUPAC Name6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine
Molecular FormulaC14H14N4O2S
Molecular Weight302.35
XLogP1.9
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity464
SMILES
CNC1=NC(=NC(=C1)C2=CC3=C(C=C2)NC=C3)S(=O)(=O)C
InChI
InChI=1S/C14H14N4O2S/c1-15-13-8-12(17-14(18-13)21(2,19)20)9-3-4-11-10(7-9)5-6-16-11/h3-8,16H,1-2H3,(H,15,17,18)
InChIKey
RTONKOFFKFVXAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DC-BPi-03
CAS: 2758411-46-8
CID: 155903113
Formula: C14H14N4O2S
MW: 302.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.35
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass302.08374688
Monoisotopic Mass302.08374688
Topological Polar Surface Area96.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity464
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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