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DC-05

CAT: 1568-C09412Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C09412Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
890643-16-0
SKU
C09412-25mg
Target
DNA Methyltransferase
Applications
Epigenetics
Smiles
OC (CNCCC1=C[NH]C2=CC=CC=C12) C[N]3C4=CC=CC=C4C5=CC=CC=C35
Molecular Formula
C25H25N3O
Additionnal Information
DC-05 is a DNA methyltransferase 1 (DNMT1) inhibitor, with an IC50 and a Kd of 10.3 μM and 1.09 μM, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

DC_05
CAS Number890643-16-0
PubChem CID16451230
IUPAC Name1-carbazol-9-yl-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
Molecular FormulaC25H25N3O
Molecular Weight383.5
XLogP4.3
Topological Polar Surface Area53
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity506
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNCC(CN3C4=CC=CC=C4C5=CC=CC=C53)O
InChI
InChI=1S/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
InChIKey
LJWMTSMUQJNHOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DC_05
CAS: 890643-16-0
CID: 16451230
Formula: C25H25N3O
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass383.199762429
Monoisotopic Mass383.199762429
Topological Polar Surface Area53 Ų
Heavy Atom Count29
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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