Products for Research Use Only
RegisterLogin

PCI-32765 Racemate

CAT: 0607-B3242-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-B3242-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BTK inhibitor
CAS Number
936563-87-0
Product Name Alternative
1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
Field of Research
Angiogenesis BTK
Purity
0.98
Solubility
Soluble in DMSO
Smiles
C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N
Molecular Formula
C25H24N6O2
Molecular Weight
440.5
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

Ibrutinib Racemate

1-[3-[4-amino-3-(4-phenoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinyl]-2-propen-1-one is an aromatic ether.

CAS Number936563-87-0
PubChem CID16126651
IUPAC Name1-[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
Molecular FormulaC25H24N6O2
Molecular Weight440.5
XLogP3.6
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity678
SMILES
C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
InChI
InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)
InChIKey
XYFPWWZEPKGCCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ibrutinib Racemate
CAS: 936563-87-0
CID: 16126651
Formula: C25H24N6O2
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass440.19607403
Monoisotopic Mass440.19607403
Topological Polar Surface Area99.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A3001-50PCI-32765 (Ibrutinib)
A3001-10PCI-32765 (Ibrutinib)
A3001-5.1PCI-32765 (Ibrutinib)
A3001-5PCI-32765 (Ibrutinib)
A3001-SPCI-32765 (Ibrutinib)
A3001-200PCI-32765 (Ibrutinib)
A4091-100PCI-34051
A4091-10PCI-34051
BA8826-10PCI-33380
A4091-SPCI-34051

Alternative Products

CatalogName
MBS3606698-01PCI-32765 racemate
MBS130980-01PCI-32765
A11020-25PCI-32765 25mg
A11020-10PCI-32765 10mg
A11020-100PCI-32765 100mg
MBS384894-01PCI-32765 (Ibrutinib)
MBS575412Ibrutinib (PCI-32765)
A11020-500PCI-32765 (Ibrutinib) 500mg
A11020-200PCI-32765 (Ibrutinib) 200mg
2298-25BTK Inhibitor, PCI-32765

Popular Products