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UNC0379

CAT: 1410-M12379-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M12379-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
UNC0379 is a selective, substrate-competitive inhibitor of lysine methyltransferase SETD8 with IC50 of 7.3 uM.
CAS Number
1620401-82-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
413.5563
Molecular Formula
C23H35N5O2
Notes
Research use only, not for human use.
Receptor
SETD8

Chemical Information

Unc0379
CAS Number1620401-82-2
PubChem CID78357767
IUPAC Name6,7-dimethoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine
Molecular FormulaC23H35N5O2
Molecular Weight413.6
XLogP4.3
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity498
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC3)NCCCCCN4CCCC4)OC
InChI
InChI=1S/C23H35N5O2/c1-29-20-16-18-19(17-21(20)30-2)25-23(28-14-8-9-15-28)26-22(18)24-10-4-3-5-11-27-12-6-7-13-27/h16-17H,3-15H2,1-2H3,(H,24,25,26)
InChIKey
WEXCGGWTIDNVNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Unc0379
CAS: 1620401-82-2
CID: 78357767
Formula: C23H35N5O2
MW: 413.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.6
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass413.27907538
Monoisotopic Mass413.27907538
Topological Polar Surface Area62.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity498
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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CatalogName
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