S358-0289 Screening compound: 4-{5-[6-(2-chlorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazin-1-yl]-1,2,4-oxadiazol-3-yl}pyridine

S358-0289 Screening compound: 4-{5-[6-(2-chlorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazin-1-yl]-1,2,4-oxadiazol-3-yl}pyridine
S358-0289 Screening compound: 4-{5-[6-(2-chlorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazin-1-yl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S358-0289
4-{5-[6-(2-chlorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazin-1-yl]-1,2,4-oxadiazol-3-yl}pyridine

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

S358-0289

Molecular Formula

C19H14ClN5O2 (C19 H14 ClN5 O2)

Compound Name

4-{5-[6-(2-chlorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazin-1-yl]-1,2,4-oxadiazol-3-yl}pyridine

IUPAC name

4-{5-[6-(2-chlorophenyl)-5H6H8H-imidazo[43-c][14]oxazin-1-yl]-124-oxadiazol-3-yl}pyridine

SMILES

Clc1c(C2OCc3c(-c4nc(-c5ccncc5)no4)ncn3C2)cccc1

InChI

InChI=1S/C19H14ClN5O2/c20-14-4-2-1-3-13(14)16-9-25-11-22-17(15(25)10-26-16)19-23-18(24-27-19)12-5-7-21-8-6-12/h1-8,11,16H,9-10H2

InChI Key

OBNRQOHTPASFTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.81

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

2.870

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.46

Polar Surface Area

60.756

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

S358-0289 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S358-0289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S358-0289?
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What is the minimum amount of S358-0289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S358-0289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S358-0289
  • 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 S358-0289 available by request