S594-0423 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)propan-1-one

S594-0423 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)propan-1-one
S594-0423 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-0423
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)propan-1-one

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

S594-0423

Molecular Formula

C23H29N5O3 (C23 H29 N5 O3)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-{5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)propan-1-one

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-1-(4-{5-[(4-methylphenoxy)methyl]-124-oxadiazol-3-yl}piperidin-1-yl)propan-1-one

SMILES

Cc1cc(C)nn1CCC(N(CC1)CCC1c1noc(COc2ccc(C)cc2)n1)=O

InChI

InChI=1S/C23H29N5O3/c1-16-4-6-20(7-5-16)30-15-21-24-23(26-31-21)19-8-11-27(12-9-19)22(29)10-13-28-18(3)14-17(2)25-28/h4-7,14,19H,8-13,15H2,1-3H3

InChI Key

LMEDOEKOHLITSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31963255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.433

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-2.63

Polar Surface Area

68.915

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

S594-0423 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S594-0423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-0423?
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What is the minimum amount of S594-0423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-0423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-0423
  • 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 S594-0423 available by request