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CC-671

CAT: 0931-T4482-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T4482-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1618658-88-0
Target
Tyrosine Kinases, CDK
Related Pathways
Cell Cycle/Checkpoint, Tyrosine Kinase/Adaptors
Purity
0.988
Bioactivity
CC-671 is a dual inhibitor of TTK protein kinase (IC50: 0.005 μM) and CLK2 (IC50: 0.006 μM) .
Smiles
CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(c[nH]c3n2)-c2ccc3nc(C)oc3c2)c(OC)c1
Molecular Formula
C28H28N6O4
Molecular Weight
512.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-((4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N-methylbenzamide
CAS Number1618658-88-0
PubChem CID117881270
IUPAC Name4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
Molecular FormulaC28H28N6O4
Molecular Weight512.6
XLogP5.2
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity814
SMILES
CC1=NC2=C(O1)C=C(C=C2)C3=CNC4=C3C(=NC(=N4)NC5=C(C=C(C=C5)C(=O)NC)OC)OC6CCCC6
InChI
InChI=1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34)
InChIKey
CWJLAVRXVFHDSJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((4-(cyclopentyloxy)-5-(2-methylbenzo[d]oxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N-methylbenzamide
CAS: 1618658-88-0
CID: 117881270
Formula: C28H28N6O4
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass512.21720340
Monoisotopic Mass512.21720340
Topological Polar Surface Area127 Ų
Heavy Atom Count38
Formal Charge0
Complexity814
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA3793-25CC-671
A16995-50CC-671 50mg
A16995-25CC-671 25mg
A16995-10CC-671 10mg
A16995-5CC-671 5mg
A16995-500CC-671 500mg
A16995-100CC-671 100mg
A16995-1CC-671 1mg
A16995-10mM-DCC-671 10mM * 1mL in DMSO

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