S428-1135 Screening compound: 1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine

S428-1135 Screening compound: 1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine
S428-1135 Screening compound: 1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1135
1-[5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carbonyl]-3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine

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

S428-1135

Molecular Formula

C23H30N6O4 (C23 H30 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CCn1nc(C)c(-c2cc(C(N(CCC3)CC3c3nc(C4CCOCC4)no3)=O)no2)c1C

InChI

InChI=1S/C23H30N6O4/c1-4-29-15(3)20(14(2)25-29)19-12-18(26-32-19)23(30)28-9-5-6-17(13-28)22-24-21(27-33-22)16-7-10-31-11-8-16/h12,16-17H,4-11,13H2,1-3H3/t17-/m0/s1

InChI Key

BVHPMKGZRJCPPH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31959977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.528

Distribution Coefficient, logD

2.528

Water Solubility, LogSw

-2.42

Polar Surface Area

92.140

Acid Dissociation Constant (pKa)

25.97

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

S428-1135 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S428-1135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1135?
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What is the minimum amount of S428-1135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1135
  • 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 S428-1135 available by request