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KRCA-0008

CAT: 0013-GTR19173640-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173640-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KRCA-0008
CAS Number
1472795-20-2
Product Name Alternative
TNK2, selective, Inhibitor, N-Acetylpiperidine, inhibit, KRCA 0008, KRCA0008, KRCA-0008, Activated Cdc42 kinase 1, ALCL, ALK, ALK tyrosine kinase receptor, Ack1, ACK, analogue, Anaplastic lymphoma kinase, Anaplastic lymphoma kinase (ALK), apoptosis, crizotinib, diaminopyrimidine, cell cycle arrest, CD246, Cluster of differentiation 246
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Purity
96.19% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (1.64 mM) ; DMSO:12 mg/mL (19.7 mM)
Smiles
COc1cc (ccc1Nc1ncc (Cl) c (Nc2ccc (cc2OC) N2CCN (CC2) C (C) =O) n1) N1CCN (CC1) C (C) =O
Molecular Formula
C30H37ClN8O4
Molecular Weight
609.12
Storage Conditions
-20°C
Notes
For research use only.

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

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