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MS1262

CAT: 0013-GTR19258158-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258158-01Size:10 mg
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Description
MS1262 is a ligand for the E3 ubiquitin ligase of the compound MS1262-C3-amide-C10-amine. It can be used in the synthesis of PROTAC.
CAS Number
3070323-06-4
Field of Research
Pharmacology & Drug Discovery
Smiles
N=1C=2C=C (OCCCN3CCCC3) C (OC) =CC2C (=CC1N4CCOCC4) NC5CCN (CC5) C (C) C
Molecular Formula
C29H45N5O3
Molecular Weight
511.699
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(1-Isopropylpiperidin-4-yl)-6-methoxy-2-morpholino-7-(3-(pyrrolidin-1-yl)propoxy)quinolin-4-amine
CAS Number3070323-06-4
PubChem CID176207196
IUPAC Name6-methoxy-2-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
Molecular FormulaC29H45N5O3
Molecular Weight511.7
XLogP4.5
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity664
SMILES
CC(C)N1CCC(CC1)NC2=CC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCOCC5
InChI
InChI=1S/C29H45N5O3/c1-22(2)33-12-7-23(8-13-33)30-26-21-29(34-14-17-36-18-15-34)31-25-20-28(27(35-3)19-24(25)26)37-16-6-11-32-9-4-5-10-32/h19-23H,4-18H2,1-3H3,(H,30,31)
InChIKey
IGXWMDSNAGPQFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-Isopropylpiperidin-4-yl)-6-methoxy-2-morpholino-7-(3-(pyrrolidin-1-yl)propoxy)quinolin-4-amine
CAS: 3070323-06-4
CID: 176207196
Formula: C29H45N5O3
MW: 511.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.7
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass511.35224031
Monoisotopic Mass511.35224031
Topological Polar Surface Area62.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity664
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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Alternative Products

CatalogName
HY-176036-01MS1262
T206748-01MS1262-C3-amide-C10-amine

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