S399-0115 Screening compound: 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1-sulfonamide

S399-0115 Screening compound: 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1-sulfonamide
S399-0115 Screening compound: 3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S399-0115
3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S399-0115

Molecular Formula

C12H15N3O4S (C12 H15 N3 O4 S)

Compound Name

3-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1-sulfonamide

IUPAC name

3-methoxy-N-[2-(5-methyl-124-oxadiazol-3-yl)ethyl]benzene-1-sulfonamide

SMILES

Cc1nc(CCNS(c2cc(OC)ccc2)(=O)=O)no1

InChI

InChI=1S/C12H15N3O4S/c1-9-14-12(15-19-9)6-7-13-20(16,17)11-5-3-4-10(8-11)18-2/h3-5,8,13H,6-7H2,1-2H3

InChI Key

RBGXENAAUMBOBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.512

Distribution Coefficient, logD

1.511

Water Solubility, LogSw

-2.46

Polar Surface Area

81.549

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S399-0115 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S399-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S399-0115?
Check Price and Availability of S399-0115, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S399-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S399-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S399-0115
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S399-0115 available by request