S428-1144 Screening compound: 3',5'-dimethyl-5-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-1'-propyl-1H,1'H-3,4'-bipyrazole

S428-1144 Screening compound: 3',5'-dimethyl-5-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-1'-propyl-1H,1'H-3,4'-bipyrazole
S428-1144 Screening compound: 3',5'-dimethyl-5-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-1'-propyl-1H,1'H-3,4'-bipyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1144
3',5'-dimethyl-5-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-1'-propyl-1H,1'H-3,4'-bipyrazole

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

S428-1144

Molecular Formula

C24H33N7O3 (C24 H33 N7 O3)

Compound Name

3',5'-dimethyl-5-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-1'-propyl-1H,1'H-3,4'-bipyrazole

IUPAC name

3'5'-dimethyl-5-{3-[3-(oxan-4-yl)-124-oxadiazol-5-yl]piperidine-1-carbonyl}-1'-propyl-1H1'H-34'-bipyrazole

SMILES

CCCn1nc(C)c(-c2n[nH]c(C(N(CCC3)CC3c3nc(C4CCOCC4)no3)=O)c2)c1C

InChI

InChI=1S/C24H33N7O3/c1-4-9-31-16(3)21(15(2)28-31)19-13-20(27-26-19)24(32)30-10-5-6-18(14-30)23-25-22(29-34-23)17-7-11-33-12-8-17/h13,17-18H,4-12,14H2,1-3H3,(H,26,27)/t18-/m0/s1

InChI Key

MZCFSOYCVIJLFY-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31959989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.905

Distribution Coefficient, logD

2.904

Water Solubility, LogSw

-3.01

Polar Surface Area

93.348

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S428-1144 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with S428-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1144?
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What is the minimum amount of S428-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1144
  • 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 S428-1144 available by request