S429-1168 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidine

S429-1168 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidine
S429-1168 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1168
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidine

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

S429-1168

Molecular Formula

C25H30N4O3 (C25 H30 N4 O3)

Compound Name

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-[5-(4-methoxyphenyl)-1,2-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidine

IUPAC name

4-(5-cyclopropyl-124-oxadiazol-3-yl)-1-[5-(4-methoxyphenyl)-12-dimethyl-1H-pyrrole-3-carbonyl]-4-methylpiperidine

SMILES

CC(CC1)(CCN1C(c1c(C)n(C)c(-c(cc2)ccc2OC)c1)=O)c1noc(C2CC2)n1

InChI

InChI=1S/C25H30N4O3/c1-16-20(15-21(28(16)3)17-7-9-19(31-4)10-8-17)23(30)29-13-11-25(2,12-14-29)24-26-22(32-27-24)18-5-6-18/h7-10,15,18H,5-6,11-14H2,1-4H3

InChI Key

KKOKLCMQWBWWAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

4.526

Water Solubility, LogSw

-4.34

Polar Surface Area

58.120

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

S429-1168 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S429-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1168?
Check Price and Availability of S429-1168, 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 S429-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1168
  • 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 S429-1168 available by request