Products for Research Use Only

Cdc7-IN-3

CAT: 0013-GTR19206292-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206292-02Size:50 mg
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Description
Cdc7-IN-3 is a potent and selective small molecule inhibitor of the Cdc7 kinase. It serves as a valuable research tool for investigating DNA replication initiation and cell cycle progression in both in vitro biochemical assays and in vivo preclinical cancer models.
CAS Number
1402057-87-7
Field of Research
Cell Biology, Signal Transduction
Smiles
C (OC (C) C) (=O) C1=C (NN2CCOCC2) OC (=CC=3C=4C (NC3) =NC=CC4) C1=O
Molecular Formula
C20H22N4O5
Molecular Weight
398.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isopropyl 5-[(1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-2-(morpholinoamino)-4-oxo-4,5-dihydrofuran-3-carboxylate
CAS Number1402057-87-7
PubChem CID136338210
IUPAC Namepropan-2-yl 4-hydroxy-2-(morpholin-4-ylamino)-5-(pyrrolo[2,3-b]pyridin-3-ylidenemethyl)furan-3-carboxylate
Molecular FormulaC20H22N4O5
Molecular Weight398.4
XLogP2.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity649
SMILES
CC(C)OC(=O)C1=C(OC(=C1O)C=C2C=NC3=C2C=CC=N3)NN4CCOCC4
InChI
InChI=1S/C20H22N4O5/c1-12(2)28-20(26)16-17(25)15(29-19(16)23-24-6-8-27-9-7-24)10-13-11-22-18-14(13)4-3-5-21-18/h3-5,10-12,23,25H,6-9H2,1-2H3
InChIKey
ROEAYIXSRHOPGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl 5-[(1H-pyrrolo[2,3-b]pyridin-3-yl)methylene]-2-(morpholinoamino)-4-oxo-4,5-dihydrofuran-3-carboxylate
CAS: 1402057-87-7
CID: 136338210
Formula: C20H22N4O5
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass398.15901982
Monoisotopic Mass398.15901982
Topological Polar Surface Area109 Ų
Heavy Atom Count29
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes