Products for Research Use Only
RegisterLogin

KRCA-0008 25mg

CAT: 0628-A15511-25Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A15511-25Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1472795-20-2

Chemical Information

1,1'-((((5-Chloropyrimidine-2,4-diyl)bis(azanediyl))bis(3-methoxy-4,1-phenylene))bis(piperazine-4,1-diyl))bis(ethan-1-one)
CAS Number1472795-20-2
PubChem CID72547474
IUPAC Name1-[4-[4-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
Molecular FormulaC30H37ClN8O4
Molecular Weight609.1
XLogP3.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity919
SMILES
CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC(=NC=C3Cl)NC4=C(C=C(C=C4)N5CCN(CC5)C(=O)C)OC)OC
InChI
InChI=1S/C30H37ClN8O4/c1-20(40)36-9-13-38(14-10-36)22-5-7-25(27(17-22)42-3)33-29-24(31)19-32-30(35-29)34-26-8-6-23(18-28(26)43-4)39-15-11-37(12-16-39)21(2)41/h5-8,17-19H,9-16H2,1-4H3,(H2,32,33,34,35)
InChIKey
TXDIRJCYNAWBOS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1'-((((5-Chloropyrimidine-2,4-diyl)bis(azanediyl))bis(3-methoxy-4,1-phenylene))bis(piperazine-4,1-diyl))bis(ethan-1-one)
CAS: 1472795-20-2
CID: 72547474
Formula: C30H37ClN8O4
MW: 609.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.1
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass608.2626294
Monoisotopic Mass608.2626294
Topological Polar Surface Area115 Ų
Heavy Atom Count43
Formal Charge0
Complexity919
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

Related Products

CatalogName
A15511-10KRCA-0008 10mg
A15511-100KRCA-0008 100mg
A15511-5KRCA-0008 5mg
A15511-50KRCA-0008 50mg
A15511-10mM-DKRCA-0008 10mM * 1mL in DMSO
A13047-25A-205804 25mg
A14328-25Sagopilone 25mg
A24570-25DiI 25mg
A14427-25Palbociclib 25mg
A14278-25SC75741 25mg

Alternative Products

CatalogName
GTR19173640-01KRCA-0008
B7749-25KRCA 0008
MBS5777445KRCA-0713
GTR19197352-01KRCA-0377
T71723-01F2276-0008

Popular Products