S497-1542 Screening compound: N-benzyl-3-{2-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidine-1-carboxamide

S497-1542 Screening compound: N-benzyl-3-{2-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidine-1-carboxamide
S497-1542 Screening compound: N-benzyl-3-{2-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S497-1542
N-benzyl-3-{2-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidine-1-carboxamide

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

S497-1542

Molecular Formula

C23H20N6O3 (C23 H20 N6 O3)

Compound Name

N-benzyl-3-{2-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]phenoxy}azetidine-1-carboxamide

IUPAC name

N-benzyl-3-{2-[3-(pyrazin-2-yl)-124-oxadiazol-5-yl]phenoxy}azetidine-1-carboxamide

SMILES

O=C(NCc1ccccc1)N(C1)CC1Oc(cccc1)c1-c1nc(-c2nccnc2)no1

InChI

InChI=1S/C23H20N6O3/c30-23(26-12-16-6-2-1-3-7-16)29-14-17(15-29)31-20-9-5-4-8-18(20)22-27-21(28-32-22)19-13-24-10-11-25-19/h1-11,13,17H,12,14-15H2,(H,26,30)

InChI Key

ZKQDDLIIJKMGIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31981083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.408

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-2.61

Polar Surface Area

83.547

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.39

S497-1542 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S497-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S497-1542?
Check Price and Availability of S497-1542, 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 S497-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S497-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S497-1542
  • 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 S497-1542 available by request