S3337

CAT: 0931-T12822-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T12822-01Size:25 mg

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

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CAS Number

108499-48-5

Target

Others, Proton pump

Related Pathways

Others, Membrane transporter/Ion channel

Bioactivity

S3337 is an inhibitor of H+, K+-ATPase

Smiles

S(CC1=C(NCC)C=CC=C1)(=O)C=2NC=3C(N2)=CC(OC)=C(OC)C3

Molecular Formula

C18H21N3O3S

Molecular Weight

359.44

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-(2-Ethylaminobenzylsulfinyl)-5,6-dimethoxybenzimidazole

structure given in first source

CAS Number	108499-48-5
PubChem CID	130147
IUPAC Name	2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N-ethylaniline
Molecular Formula	C18H21N3O3S
Molecular Weight	359.4
XLogP	2.8
Topological Polar Surface Area	95.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	453

SMILES

CCNC1=CC=CC=C1CS(=O)C2=NC3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C18H21N3O3S/c1-4-19-13-8-6-5-7-12(13)11-25(22)18-20-14-9-16(23-2)17(24-3)10-15(14)21-18/h5-10,19H,4,11H2,1-3H3,(H,20,21)

InChIKey

YAMSJFSCDATXNU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108499-48-5

CID: 130147

Formula: C18H21N3O3S

MW: 359.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	359.4
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	359.13036271
Monoisotopic Mass	359.13036271
Topological Polar Surface Area	95.5 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	453
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5767559	S3337

S3337

Chemical Information

Alternative Products

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