S428-0329 Screening compound: (1-methyl-1H-pyrazol-5-yl)[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methanone

S428-0329 Screening compound: (1-methyl-1H-pyrazol-5-yl)[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methanone
S428-0329 Screening compound: (1-methyl-1H-pyrazol-5-yl)[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-0329
(1-methyl-1H-pyrazol-5-yl)[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methanone

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

S428-0329

Molecular Formula

C16H21N5O3 (C16 H21 N5 O3)

Compound Name

(1-methyl-1H-pyrazol-5-yl)[3-(3-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]methanone

IUPAC name

5-[1-(1-methyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-3-(oxan-4-yl)-124-oxadiazole

SMILES

Cn1nccc1C(N(CC1)CC1c1nc(C2CCOCC2)no1)=O

InChI

InChI=1S/C16H21N5O3/c1-20-13(2-6-17-20)16(22)21-7-3-12(10-21)15-18-14(19-24-15)11-4-8-23-9-5-11/h2,6,11-12H,3-5,7-10H2,1H3/t12-/m1/s1

InChI Key

AAJHBXXEKGVGRA-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29006791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.215

Distribution Coefficient, logD

1.215

Water Solubility, LogSw

-1.68

Polar Surface Area

70.343

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S428-0329 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S428-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-0329?
Check Price and Availability of S428-0329, 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 S428-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-0329
  • 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 S428-0329 available by request