S594-1004 Screening compound: N-[2-(4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide

S594-1004 Screening compound: N-[2-(4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
S594-1004 Screening compound: N-[2-(4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-1004
N-[2-(4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-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

S594-1004

Molecular Formula

C18H26N4O6S2 (C18 H26 N4 O6 S2)

Compound Name

N-[2-(4-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide

IUPAC name

N-[2-(4-{5-[(2-methoxyethoxy)methyl]-124-oxadiazol-3-yl}piperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide

SMILES

CN(CC(N(CC1)CCC1c1noc(COCCOC)n1)=O)S(c1cccs1)(=O)=O

InChI

InChI=1S/C18H26N4O6S2/c1-21(30(24,25)17-4-3-11-29-17)12-16(23)22-7-5-14(6-8-22)18-19-15(28-20-18)13-27-10-9-26-2/h3-4,11,14H,5-10,12-13H2,1-2H3

InChI Key

XUCMUTYHZUGQRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31986173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.356

Distribution Coefficient, logD

0.356

Water Solubility, LogSw

-2.09

Polar Surface Area

98.252

Acid Dissociation Constant (pKa)

23.40

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S594-1004 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S594-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-1004?
Check Price and Availability of S594-1004, 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 S594-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-1004
  • 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 S594-1004 available by request