S429-1458 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{4-methyl-4-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}butan-1-one

S429-1458 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{4-methyl-4-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}butan-1-one
S429-1458 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{4-methyl-4-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1458
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{4-methyl-4-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}butan-1-one

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

S429-1458

Molecular Formula

C27H30N6O5 (C27 H30 N6 O5)

Compound Name

4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-{4-methyl-4-[5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}butan-1-one

IUPAC name

4-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-1-{4-methyl-4-[5-(pyridin-2-yl)-124-oxadiazol-3-yl]piperidin-1-yl}butan-1-one

SMILES

CC(CC1)(CCN1C(CCCc1nc(-c(cc2)cc(OC)c2OC)no1)=O)c1noc(-c2ncccc2)n1

InChI

InChI=1S/C27H30N6O5/c1-27(26-30-25(38-32-26)19-7-4-5-14-28-19)12-15-33(16-13-27)23(34)9-6-8-22-29-24(31-37-22)18-10-11-20(35-2)21(17-18)36-3/h4-5,7,10-11,14,17H,6,8-9,12-13,15-16H2,1-3H3

InChI Key

HNJKACOWIMZWIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32010521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

3.436

Water Solubility, LogSw

-3.64

Polar Surface Area

103.417

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

S429-1458 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S429-1458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1458?
Check Price and Availability of S429-1458, 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 S429-1458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1458
  • 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 S429-1458 available by request