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AZ20

CAT: 0931-T1958-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T1958-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1233339-22-4
Target
MTOR, ATM/ATR
Related Pathways
PI3K/Akt/mTOR signaling, DNA Damage/DNA Repair
Purity
>99.99%
Bioactivity
AZ20 is an effective and specific inhibitor of ATR kinase (IC50: 5 nM, in a cell-free assay), 8-fold selectivity over mTOR.
Smiles
C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O
Molecular Formula
C21H24N4O3S
Molecular Weight
412.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(3R)-4-(2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl)-3-methylmorpholine

(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine is a member of indoles.

CAS Number1233339-22-4
PubChem CID46244454
IUPAC Name(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
Molecular FormulaC21H24N4O3S
Molecular Weight412.5
XLogP2.1
Topological Polar Surface Area96.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity707
SMILES
C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C)C4=C5C=CNC5=CC=C4
InChI
InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1
InChIKey
SCGCBAAYLFTIJU-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of (3R)-4-(2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl)-3-methylmorpholine
CAS: 1233339-22-4
CID: 46244454
Formula: C21H24N4O3S
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass412.15691181
Monoisotopic Mass412.15691181
Topological Polar Surface Area96.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity707
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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