DiaFluo

CAT: 0931-T31416-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T31416-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2255307-86-7

Target

Others

Related Pathways

Others

Bioactivity

DiaFluo is a probe for protein S-sulfinylation from cells.

Smiles

O=C(O)C1=CC(NC(NCCC(C)(OC(/N=N/C(OC(C)(C)C)=O)=O)C)=S)=CC=C1C2=C3C=CC(C=C3OC4=C2C=CC(O)=C4)=O

Molecular Formula

C32H32N4O9S

Molecular Weight

648.69

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(E)-5-(3-(3-(((tert-Butoxycarbonyl)diazenecarbonyl)oxy)-3-methylbutyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

CAS Number	2255307-86-7
PubChem CID	171319261
IUPAC Name	2-(3-hydroxy-6-oxoxanthen-9-yl)-5-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonyliminocarbamoyloxy]butyl]carbamothioylamino]benzoic acid
Molecular Formula	C32H32N4O9S
Molecular Weight	648.7
XLogP	4.7
Topological Polar Surface Area	217
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Heavy Atom Count	46
Formal Charge	0
Complexity	1360

SMILES

CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)CCNC(=S)NC1=CC(=C(C=C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O

InChI

InChI=1S/C32H32N4O9S/c1-31(2,3)44-29(41)35-36-30(42)45-32(4,5)12-13-33-28(46)34-17-6-9-20(23(14-17)27(39)40)26-21-10-7-18(37)15-24(21)43-25-16-19(38)8-11-22(25)26/h6-11,14-16,37H,12-13H2,1-5H3,(H,39,40)(H2,33,34,46)

InChIKey

UISZPAFWFLUTQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2255307-86-7

CID: 171319261

Formula: C32H32N4O9S

MW: 648.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	648.7
XLogP3	4.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	648.18899978
Monoisotopic Mass	648.18899978
Topological Polar Surface Area	217 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1360
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5781033	DiaFluo

DiaFluo

Chemical Information

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