Products for Research Use Only
RegisterLogin

ART812

CAT: 1568-C01721-02Size: 10 mM / 1 mLDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1568-C01721-02Size:10 mM / 1 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2607138-82-7
SKU
C01721-5mg
Target
DNA/RNA Synthesis
Applications
Cell Cycle
Additionnal Information
ART812 is an orally active DNA polymerase Polθ inhibitor with an IC50 value of 7.6 nM.

Chemical Information

(2S,3S,4S)-N-(3-Chloro-4-fluorophenyl)-3,4-dihydroxy-N-methyl-1-(6-methyl-4-(trifluoromethyl)pyridin-2-yl)-5-oxopyrrolidine-2-carboxamide
CAS Number2607138-82-7
PubChem CID156077039
IUPAC Name(2S,3S,4S)-N-(3-chloro-4-fluorophenyl)-3,4-dihydroxy-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
Molecular FormulaC19H16ClF4N3O4
Molecular Weight461.8
XLogP2.8
Topological Polar Surface Area94
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity700
SMILES
CC1=CC(=CC(=N1)N2[C@@H]([C@@H]([C@@H](C2=O)O)O)C(=O)N(C)C3=CC(=C(C=C3)F)Cl)C(F)(F)F
InChI
InChI=1S/C19H16ClF4N3O4/c1-8-5-9(19(22,23)24)6-13(25-8)27-14(15(28)16(29)18(27)31)17(30)26(2)10-3-4-12(21)11(20)7-10/h3-7,14-16,28-29H,1-2H3/t14-,15-,16-/m0/s1
InChIKey
YJJOABOMFPGRED-JYJNAYRXSA-N
Chemical Structure
2D Structure
2D structure of (2S,3S,4S)-N-(3-Chloro-4-fluorophenyl)-3,4-dihydroxy-N-methyl-1-(6-methyl-4-(trifluoromethyl)pyridin-2-yl)-5-oxopyrrolidine-2-carboxamide
CAS: 2607138-82-7
CID: 156077039
Formula: C19H16ClF4N3O4
MW: 461.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.8
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass461.0765463
Monoisotopic Mass461.0765463
Topological Polar Surface Area94 Ų
Heavy Atom Count31
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
C01966-01ART899
C01966-1gART899
C01966-5mgART899
C01966-100mgART899
C01966-25mgART899

Alternative Products

CatalogName
M35191-01ART812

Popular Products