S457-0434 Screening compound: (2E)-1-{3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-3-(furan-2-yl)prop-2-en-1-one

S457-0434 Screening compound: (2E)-1-{3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-3-(furan-2-yl)prop-2-en-1-one
S457-0434 Screening compound: (2E)-1-{3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-3-(furan-2-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S457-0434
(2E)-1-{3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-3-(furan-2-yl)prop-2-en-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

S457-0434

Molecular Formula

C18H20N6O3 (C18 H20 N6 O3)

Compound Name

(2E)-1-{3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}-3-(furan-2-yl)prop-2-en-1-one

IUPAC name

(2E)-1-{3-[4-(3-ethyl-124-oxadiazol-5-yl)-1H-123-triazol-1-yl]piperidin-1-yl}-3-(furan-2-yl)prop-2-en-1-one

SMILES

CCc1noc(-c2cn(C(CCC3)CN3C(/C=C/c3ccco3)=O)nn2)n1

InChI

InChI=1S/C18H20N6O3/c1-2-16-19-18(27-21-16)15-12-24(22-20-15)13-5-3-9-23(11-13)17(25)8-7-14-6-4-10-26-14/h4,6-8,10,12-13H,2-3,5,9,11H2,1H3/t13-/m0/s1

InChI Key

KEHFSQNVUKFZOH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29011094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.653

Distribution Coefficient, logD

1.653

Water Solubility, LogSw

-1.67

Polar Surface Area

82.716

Acid Dissociation Constant (pKa)

23.38

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

S457-0434 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with S457-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S457-0434?
Check Price and Availability of S457-0434, 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 S457-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S457-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S457-0434
  • 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 S457-0434 available by request