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Cdc7-IN-11

CAT: 0013-GTR19186380-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186380-02Size:50 mg
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Description
Cdc7-IN-11 is a highly potent, sub-nanomolar inhibitor of the Cdc7 kinase. This compound serves as a valuable chemical probe for investigating DNA replication initiation and cell cycle progression, with applications in cancer research and the study of proliferative diseases in both cellular and animal models.
CAS Number
2649409-19-6
Field of Research
Cell Biology, Signal Transduction
Smiles
FC1 (F) CC=2C=3N (C[C@] (NC (=O) C3SC2C=4C=NNC4) ([C@]5 (C6CCC (O5) CC6) [H]) [H]) C1
Molecular Formula
C20H22F2N4O2S
Molecular Weight
420.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cdc7-IN-11
CAS Number2649409-19-6
PubChem CID163322010
IUPAC Name(10S)-6,6-difluoro-10-[(3R)-2-oxabicyclo[2.2.2]octan-3-yl]-3-(1H-pyrazol-4-yl)-2-thia-8,11-diazatricyclo[6.4.1.04,13]trideca-1(13),3-dien-12-one
Molecular FormulaC20H22F2N4O2S
Molecular Weight420.5
XLogP3.1
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity677
SMILES
C1CC2CCC1[C@@H](O2)[C@@H]3CN4CC(CC5=C(SC(=C54)C(=O)N3)C6=CNN=C6)(F)F
InChI
InChI=1S/C20H22F2N4O2S/c21-20(22)5-13-15-18(29-17(13)11-6-23-24-7-11)19(27)25-14(8-26(15)9-20)16-10-1-3-12(28-16)4-2-10/h6-7,10,12,14,16H,1-5,8-9H2,(H,23,24)(H,25,27)/t10?,12?,14-,16+/m0/s1
InChIKey
YYQNXPWZKRBWGL-FYNZKYSFSA-N
Chemical Structure
2D Structure
2D structure of Cdc7-IN-11
CAS: 2649409-19-6
CID: 163322010
Formula: C20H22F2N4O2S
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass420.14315345
Monoisotopic Mass420.14315345
Topological Polar Surface Area98.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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