S518-0433 Screening compound: 3-[1-(1-methyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]-5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazole

S518-0433 Screening compound: 3-[1-(1-methyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]-5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazole
S518-0433 Screening compound: 3-[1-(1-methyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]-5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S518-0433
3-[1-(1-methyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]-5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazole

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

S518-0433

Molecular Formula

C18H19N5O3 (C18 H19 N5 O3)

Compound Name

3-[1-(1-methyl-1H-pyrazole-5-carbonyl)azetidin-3-yl]-5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazole

IUPAC name

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

SMILES

Cc(cc1)ccc1OCc1nc(C(C2)CN2C(c2ccnn2C)=O)no1

InChI

InChI=1S/C18H19N5O3/c1-12-3-5-14(6-4-12)25-11-16-20-17(21-26-16)13-9-23(10-13)18(24)15-7-8-19-22(15)2/h3-8,13H,9-11H2,1-2H3

InChI Key

QSCJYDAPYCIBEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31979876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.934

Distribution Coefficient, logD

1.934

Water Solubility, LogSw

-2.25

Polar Surface Area

69.305

Acid Dissociation Constant (pKa)

27.34

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S518-0433 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S518-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S518-0433?
Check Price and Availability of S518-0433, 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 S518-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S518-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S518-0433
  • 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 S518-0433 available by request