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IBPR002

CAT: 0931-T71278-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T71278-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1192754-38-3
Target
Others
Related Pathways
Others
Bioactivity
IBPR002 is an aurora kinase inhibitor which reveals mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Smiles
N(CCC1=CC=C(NC(NC2=CC=CC=C2)=O)C=C1)C3=C4C(OC(=C4)C5=CC=C(OCCN6CCC(O)CC6)C=C5)=NC=N3
Molecular Formula
C34H36N6O4
Molecular Weight
592.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-{2-[(6-{4-[2-(4-Hydroxypiperidin-1-Yl)ethoxy]phenyl}furo[2,3-D]pyrimidin-4-Yl)amino]ethyl}phenyl)-3-Phenylurea
CAS Number1192754-38-3
PubChem CID57946373
IUPAC Name1-[4-[2-[[6-[4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl]furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-phenylurea
Molecular FormulaC34H36N6O4
Molecular Weight592.7
XLogP5.3
Topological Polar Surface Area125
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity853
SMILES
C1CN(CCC1O)CCOC2=CC=C(C=C2)C3=CC4=C(N=CN=C4O3)NCCC5=CC=C(C=C5)NC(=O)NC6=CC=CC=C6
InChI
InChI=1S/C34H36N6O4/c41-28-15-18-40(19-16-28)20-21-43-29-12-8-25(9-13-29)31-22-30-32(36-23-37-33(30)44-31)35-17-14-24-6-10-27(11-7-24)39-34(42)38-26-4-2-1-3-5-26/h1-13,22-23,28,41H,14-21H2,(H,35,36,37)(H2,38,39,42)
InChIKey
WEVRAOPLGYJTLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-{2-[(6-{4-[2-(4-Hydroxypiperidin-1-Yl)ethoxy]phenyl}furo[2,3-D]pyrimidin-4-Yl)amino]ethyl}phenyl)-3-Phenylurea
CAS: 1192754-38-3
CID: 57946373
Formula: C34H36N6O4
MW: 592.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.7
XLogP35.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass592.27980365
Monoisotopic Mass592.27980365
Topological Polar Surface Area125 Ų
Heavy Atom Count44
Formal Charge0
Complexity853
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

Alternative Products

CatalogName
MBS5813817IBPR002

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