S354-0054 Screening compound: 5-[6-(4-chlorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole

S354-0054 Screening compound: 5-[6-(4-chlorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole
S354-0054 Screening compound: 5-[6-(4-chlorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S354-0054
5-[6-(4-chlorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-3-cyclopropyl-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

S354-0054

Molecular Formula

C16H14ClN5O2 (C16 H14 ClN5 O2)

Compound Name

5-[6-(4-chlorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-3-cyclopropyl-1,2,4-oxadiazole

IUPAC name

n/a

SMILES

Clc1ccc(C2OCc3c(-c4nc(C5CC5)no4)nnn3C2)cc1

InChI

InChI=1S/C16H14ClN5O2/c17-11-5-3-9(4-6-11)13-7-22-12(8-23-13)14(19-21-22)16-18-15(20-24-16)10-1-2-10/h3-6,10,13H,1-2,7-8H2/t13-/m0/s1

InChI Key

RPLGOWCCBCAGQW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29000448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.805

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-3.63

Polar Surface Area

66.689

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S354-0054 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S354-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S354-0054?
Check Price and Availability of S354-0054, 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 S354-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S354-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S354-0054
  • 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 S354-0054 available by request