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FT709

CAT: 0013-GTR19259493-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19259493-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FT709 is a potent and selective USP9X inhibitor, an IC50 of 82 nM. USP9X has been linked with centrosome function, chromosome alignment during mitosis, EGF receptor degradation, chemo-sensitization, and circadian rhythms.
CAS Number
2413991-74-7
Purity
>98%
Smiles
C (=O) (N1CC2CN (S (C3=CN=C4OCCOC4=C3) (=O) =O) CC=2C1) [C@@H] (O) C1=C2C (=CC=C1) OC (C) =N2
Molecular Formula
C23H22N4O7S
Molecular Weight
498.508384227753
Notes
For research use only.

Chemical Information

(S)-1-(5-((2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)sulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-2-hydroxy-2-(2-methylbenzo[d]oxazol-4-yl)ethan-1-one
CAS Number2413991-74-7
PubChem CID146448154
IUPAC Name(2S)-1-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-2-hydroxy-2-(2-methyl-1,3-benzoxazol-4-yl)ethanone
Molecular FormulaC23H22N4O7S
Molecular Weight498.5
XLogP-0.5
Topological Polar Surface Area144
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity967
SMILES
CC1=NC2=C(C=CC=C2O1)[C@@H](C(=O)N3CC4=C(C3)CN(C4)S(=O)(=O)C5=CC6=C(N=C5)OCCO6)O
InChI
InChI=1S/C23H22N4O7S/c1-13-25-20-17(3-2-4-18(20)34-13)21(28)23(29)26-9-14-11-27(12-15(14)10-26)35(30,31)16-7-19-22(24-8-16)33-6-5-32-19/h2-4,7-8,21,28H,5-6,9-12H2,1H3/t21-/m0/s1
InChIKey
SCFWBZTVFCUBIZ-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-(5-((2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)sulfonyl)-3,4,5,6-tetrahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-2-hydroxy-2-(2-methylbenzo[d]oxazol-4-yl)ethan-1-one
CAS: 2413991-74-7
CID: 146448154
Formula: C23H22N4O7S
MW: 498.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.5
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass498.12092023
Monoisotopic Mass498.12092023
Topological Polar Surface Area144 Ų
Heavy Atom Count35
Formal Charge0
Complexity967
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

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MBS5806045FT709
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MBS5825184(R)-FT709

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