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CDD-2211

CAT: 0013-GTR19274101-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274101-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CDD-2211 is an STK33 inhibitor with a Kd value of 0.018 nM and an IC50 value of 5 nM. It exhibits weak inhibition of off-target kinases, with IC50 values of 115 nM, 48 nM, 187 nM, and 78 nM for CLK1, CLK2, CLK4, and RET, respectively. CDD-2211 may be used in contraception research.
CAS Number
3086535-51-2
Smiles
C (#CC1=C (C=CC=C1) C2=CC=CC=C2) C=3C=4C (NN3) =CC=C (C (=O) N5C[C@H] (N (C) C) CC5) C4
Molecular Formula
C28H26N4O
Molecular Weight
434.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[2-(2-phenylphenyl)ethynyl]-2H-indazol-5-yl]methanone
CAS Number3086535-51-2
PubChem CID171393590
IUPAC Name[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[2-(2-phenylphenyl)ethynyl]-2H-indazol-5-yl]methanone
Molecular FormulaC28H26N4O
Molecular Weight434.5
XLogP4.9
Topological Polar Surface Area52.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity747
SMILES
CN(C)[C@@H]1CCN(C1)C(=O)C2=CC3=C(NN=C3C=C2)C#CC4=CC=CC=C4C5=CC=CC=C5
InChI
InChI=1S/C28H26N4O/c1-31(2)23-16-17-32(19-23)28(33)22-13-15-27-25(18-22)26(29-30-27)14-12-21-10-6-7-11-24(21)20-8-4-3-5-9-20/h3-11,13,15,18,23H,16-17,19H2,1-2H3,(H,29,30)/t23-/m1/s1
InChIKey
ZRBBUAGMFWALNG-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of [(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[3-[2-(2-phenylphenyl)ethynyl]-2H-indazol-5-yl]methanone
CAS: 3086535-51-2
CID: 171393590
Formula: C28H26N4O
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass434.21066147
Monoisotopic Mass434.21066147
Topological Polar Surface Area52.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity747
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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