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M3913

CAT: 0931-T73559-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T73559-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2379783-62-5
Target
Others
Related Pathways
Others
Bioactivity
M3913 is an antitumor compound with antiproliferative activity against cancer cells.
Smiles
ClC1=C([C@@H]2N(CCCOC2)C=3C=C(C)N=C(N)N3)C=CC(S(C)(=O)=O)=C1
Molecular Formula
C17H21ClN4O3S
Molecular Weight
396.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 146193707
CAS Number2379783-62-5
PubChem CID146193707
IUPAC Name4-[(3S)-3-(2-chloro-4-methylsulfonylphenyl)-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.9
XLogP2.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity573
SMILES
CC1=CC(=NC(=N1)N)N2CCCOC[C@@H]2C3=C(C=C(C=C3)S(=O)(=O)C)Cl
InChI
InChI=1S/C17H21ClN4O3S/c1-11-8-16(21-17(19)20-11)22-6-3-7-25-10-15(22)13-5-4-12(9-14(13)18)26(2,23)24/h4-5,8-9,15H,3,6-7,10H2,1-2H3,(H2,19,20,21)/t15-/m1/s1
InChIKey
BRVSQKUHXCLBQJ-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of CID 146193707
CAS: 2379783-62-5
CID: 146193707
Formula: C17H21ClN4O3S
MW: 396.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.9
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass396.1022894
Monoisotopic Mass396.1022894
Topological Polar Surface Area107 Ų
Heavy Atom Count26
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19212001-01M3913
HY-154809-01(R) -M3913

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