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MS31

CAT: 0931-T12111-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T12111-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2366264-12-0
Target
Others, Epigenetic Reader Domain
Related Pathways
Others, Chromatin/Epigenetic
Bioactivity
MS31 is a potent and highly affinity inhibitor of spindlin 1 (SPIN1) .
Smiles
O(C)C1=C(OCCCN2CC=3C(C2)=CC=CC3)C=C(CN)C=C1CN
Molecular Formula
C20H27N3O2
Molecular Weight
341.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[3-(Aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine
CAS Number2366264-12-0
PubChem CID138455182
IUPAC Name[3-(aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxyphenyl]methanamine
Molecular FormulaC20H27N3O2
Molecular Weight341.4
XLogP1
Topological Polar Surface Area73.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity381
SMILES
COC1=C(C=C(C=C1OCCCN2CC3=CC=CC=C3C2)CN)CN
InChI
InChI=1S/C20H27N3O2/c1-24-20-18(12-22)9-15(11-21)10-19(20)25-8-4-7-23-13-16-5-2-3-6-17(16)14-23/h2-3,5-6,9-10H,4,7-8,11-14,21-22H2,1H3
InChIKey
XQQZNYFJATXWON-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [3-(Aminomethyl)-5-[3-(1,3-dihydroisoindol-2-yl)propoxy]-4-methoxy-phenyl]methanamine
CAS: 2366264-12-0
CID: 138455182
Formula: C20H27N3O2
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass341.21032711
Monoisotopic Mass341.21032711
Topological Polar Surface Area73.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity381
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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