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CC-671

CAT: 1410-M12372-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M12372-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CC-671 is a potent, selective, dual TTK (Mps1) /CLK2 inhibitor with IC50 of 5/3 nM, respectively.
CAS Number
1618658-88-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
512.57
Molecular Formula
C28H28N6O4
Notes
Research use only, not for human use.
Receptor
CLK2|TTK

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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BA3793-25CC-671
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A16995-25CC-671 25mg
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A16995-5CC-671 5mg
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