S429-1182 Screening compound: N-{2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

S429-1182 Screening compound: N-{2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
S429-1182 Screening compound: N-{2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1182
N-{2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-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

S429-1182

Molecular Formula

C22H27N5O6S (C22 H27 N5 O6 S)

Compound Name

N-{2-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-2-oxoethyl}-N,3-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N-{2-[4-(5-cyclopropyl-124-oxadiazol-3-yl)-4-methylpiperidin-1-yl]-2-oxoethyl}-N3-dimethyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CC(CC1)(CCN1C(CN(C)S(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)=O)c1noc(C2CC2)n1

InChI

InChI=1S/C22H27N5O6S/c1-22(20-23-19(33-24-20)14-4-5-14)8-10-27(11-9-22)18(28)13-25(2)34(30,31)15-6-7-16-17(12-15)32-21(29)26(16)3/h6-7,12,14H,4-5,8-11,13H2,1-3H3

InChI Key

ZNIDTPIJJLLYGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.064

Distribution Coefficient, logD

2.064

Water Solubility, LogSw

-2.88

Polar Surface Area

103.990

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

S429-1182 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • 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 S429-1182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1182?
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What is the minimum amount of S429-1182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1182
  • 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 S429-1182 available by request