S429-0181 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-4-methylpiperidine

S429-0181 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-4-methylpiperidine
S429-0181 Screening compound: 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-0181
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-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

S429-0181

Molecular Formula

C22H28N6O3 (C22 H28 N6 O3)

Compound Name

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-4-methylpiperidine

IUPAC name

4-(5-cyclopropyl-124-oxadiazol-3-yl)-1-[5-(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)-12-oxazole-3-carbonyl]-4-methylpiperidine

SMILES

CCn1nc(C)c(-c2cc(C(N(CC3)CCC3(C)c3noc(C4CC4)n3)=O)no2)c1C

InChI

InChI=1S/C22H28N6O3/c1-5-28-14(3)18(13(2)24-28)17-12-16(25-30-17)20(29)27-10-8-22(4,9-11-27)21-23-19(31-26-21)15-6-7-15/h12,15H,5-11H2,1-4H3

InChI Key

SWAFYJBEKZJUFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31988617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.925

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-2.96

Polar Surface Area

84.629

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.09

S429-0181 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCL1 Targeted Library (12200 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S429-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-0181?
Check Price and Availability of S429-0181, 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 S429-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-0181
  • 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 S429-0181 available by request