Products for Research Use Only
RegisterLogin

CCT137690

CAT: 0926-VTB38205-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-VTB38205-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1095382-05-0
MDL Number
MFCD18206879
Smiles
CC1=CC (=NO1) CN2CCN (CC2) C3=C4C (=NC=C3Br) N=C (N4) C5=CC=C (C=C5) N6CCN (CC6) C
Molecular Formula
C26H31BrN8O
Molecular Weight
551.48 g/mol
Controlled
No

Chemical Information

3-((4-(6-bromo-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo(4,5-b)pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole

highly selective inhibitor of aurora kinases A and B

CAS Number1095382-05-0
PubChem CID25154041
IUPAC Name3-[[4-[6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
Molecular FormulaC26H31BrN8O
Molecular Weight551.5
XLogP3.3
Topological Polar Surface Area80.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity710
SMILES
CC1=CC(=NO1)CN2CCN(CC2)C3=C4C(=NC=C3Br)N=C(N4)C5=CC=C(C=C5)N6CCN(CC6)C
InChI
InChI=1S/C26H31BrN8O/c1-18-15-20(31-36-18)17-33-9-13-35(14-10-33)24-22(27)16-28-26-23(24)29-25(30-26)19-3-5-21(6-4-19)34-11-7-32(2)8-12-34/h3-6,15-16H,7-14,17H2,1-2H3,(H,28,29,30)
InChIKey
GFLQCBTXTRCREJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((4-(6-bromo-2-(4-(4-methylpiperazin-1-yl)phenyl)-3H-imidazo(4,5-b)pyridin-7-yl)piperazin-1-yl)methyl)-5-methylisoxazole
CAS: 1095382-05-0
CID: 25154041
Formula: C26H31BrN8O
MW: 551.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass550.18042
Monoisotopic Mass550.18042
Topological Polar Surface Area80.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity710
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
C17038CCT137690
A11081-25CCT137690 25mg
A11081-10CCT137690 10mg
A11081-5CCT137690 5mg
A11081-50CCT137690 50mg
A11081-2CCT137690 2mg
A11081-1CCT137690 1mg
A11081-100CCT137690 100mg
A11081-10mM-DCCT137690 10mM * 1mL in DMSO

Popular Products