S429-1251 Screening compound: 3-(3-{1-[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidin-4-yl}-1,2,4-oxadiazol-5-yl)pyridine

S429-1251 Screening compound: 3-(3-{1-[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidin-4-yl}-1,2,4-oxadiazol-5-yl)pyridine
S429-1251 Screening compound: 3-(3-{1-[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidin-4-yl}-1,2,4-oxadiazol-5-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1251
3-(3-{1-[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidin-4-yl}-1,2,4-oxadiazol-5-yl)pyridine

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

S429-1251

Molecular Formula

C27H29N5O3 (C27 H29 N5 O3)

Compound Name

3-(3-{1-[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidin-4-yl}-1,2,4-oxadiazol-5-yl)pyridine

IUPAC name

3-(3-{1-[5-(4-methoxyphenyl)-12-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidin-4-yl}-124-oxadiazol-5-yl)pyridine

SMILES

CC(CC1)(CCN1C(c1c(C)n(C)c(-c(cc2)ccc2OC)c1)=O)c1noc(-c2cnccc2)n1

InChI

InChI=1S/C27H29N5O3/c1-18-22(16-23(31(18)3)19-7-9-21(34-4)10-8-19)25(33)32-14-11-27(2,12-15-32)26-29-24(35-30-26)20-6-5-13-28-17-20/h5-10,13,16-17H,11-12,14-15H2,1-4H3

InChI Key

JESAYKKUYGZNEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31978392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.719

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-3.77

Polar Surface Area

67.115

Acid Dissociation Constant (pKa)

27.29

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S429-1251 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S429-1251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1251?
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What is the minimum amount of S429-1251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1251
  • 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 S429-1251 available by request