OADS

CAT: 0931-T69036-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T69036-01Size:25 mg

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

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CAS Number

5970-15-0

Target

Chloride channel, Others

Related Pathways

Membrane transporter/Ion channel, Others

Bioactivity

OADS is an inhibitor of ClC-ec1 with low micromolar affinity. OADS has no specific effect on a CLC channel (ClC-1) .

Smiles

C(=CC1=C(S(=O)(=O)O)C=C(NC(CCCCCCC)=O)C=C1)C2=C(S(=O)(=O)O)C=C(NC(CCCCCCC)=O)C=C2

Molecular Formula

C30H42N2O8S2

Molecular Weight

622.79

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

6,6'-(Ethene-1,2-diyl)bis(3-octanamidobenzenesulfonic acid)

CAS Number	5970-15-0
PubChem CID	49821690
IUPAC Name	5-(octanoylamino)-2-[(E)-2-[4-(octanoylamino)-2-sulfophenyl]ethenyl]benzenesulfonic acid
Molecular Formula	C30H42N2O8S2
Molecular Weight	622.8
XLogP	6
Topological Polar Surface Area	184
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	18
Heavy Atom Count	42
Formal Charge	0
Complexity	982

SMILES

CCCCCCCC(=O)NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)NC(=O)CCCCCCC)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H42N2O8S2/c1-3-5-7-9-11-13-29(33)31-25-19-17-23(27(21-25)41(35,36)37)15-16-24-18-20-26(22-28(24)42(38,39)40)32-30(34)14-12-10-8-6-4-2/h15-22H,3-14H2,1-2H3,(H,31,33)(H,32,34)(H,35,36,37)(H,38,39,40)/b16-15+

InChIKey

JAHNTQOEVQQOSV-FOCLMDBBSA-N

Chemical Structure

2D Structure

CAS: 5970-15-0

CID: 49821690

Formula: C30H42N2O8S2

MW: 622.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	622.8
XLogP3	6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	18
Exact Mass	622.23825865
Monoisotopic Mass	622.23825865
Topological Polar Surface Area	184 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	982
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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