S429-1453 Screening compound: 4-[(4-{4-methyl-4-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

S429-1453 Screening compound: 4-[(4-{4-methyl-4-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
S429-1453 Screening compound: 4-[(4-{4-methyl-4-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1453
4-[(4-{4-methyl-4-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

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

S429-1453

Molecular Formula

C25H27N7O5S (C25 H27 N7 O5 S)

Compound Name

4-[(4-{4-methyl-4-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole

IUPAC name

4-[(4-{4-methyl-4-[5-(pyridin-2-yl)-124-oxadiazol-3-yl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-213-benzoxadiazole

SMILES

CC(CC1)(CCN1C(C(CC1)CCN1S(c1cccc2nonc12)(=O)=O)=O)c1noc(-c2ncccc2)n1

InChI

InChI=1S/C25H27N7O5S/c1-25(24-27-22(36-30-24)19-5-2-3-12-26-19)10-15-31(16-11-25)23(33)17-8-13-32(14-9-17)38(34,35)20-7-4-6-18-21(20)29-37-28-18/h2-7,12,17H,8-11,13-16H2,1H3

InChI Key

QXDNCQSMDSRNRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31960203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.6

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.879

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.10

Polar Surface Area

125.141

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

S429-1453 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S429-1453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1453?
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What is the minimum amount of S429-1453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1453
  • 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 S429-1453 available by request