S358-0259 Screening compound: 3-(2,4-dimethoxyphenyl)-5-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazin-1-yl]-1,2,4-oxadiazole

S358-0259 Screening compound: 3-(2,4-dimethoxyphenyl)-5-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazin-1-yl]-1,2,4-oxadiazole
S358-0259 Screening compound: 3-(2,4-dimethoxyphenyl)-5-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazin-1-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S358-0259
3-(2,4-dimethoxyphenyl)-5-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazin-1-yl]-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

S358-0259

Molecular Formula

C22H19FN4O4 (C22 H19 FN4 O4)

Compound Name

3-(2,4-dimethoxyphenyl)-5-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazin-1-yl]-1,2,4-oxadiazole

IUPAC name

3-(24-dimethoxyphenyl)-5-[6-(4-fluorophenyl)-5H6H8H-imidazo[43-c][14]oxazin-1-yl]-124-oxadiazole

SMILES

COc(cc1)cc(OC)c1-c1noc(-c2c(COC(C3)c(cc4)ccc4F)n3cn2)n1

InChI

InChI=1S/C22H19FN4O4/c1-28-15-7-8-16(18(9-15)29-2)21-25-22(31-26-21)20-17-11-30-19(10-27(17)12-24-20)13-3-5-14(23)6-4-13/h3-9,12,19H,10-11H2,1-2H3/t19-/m0/s1

InChI Key

DPUJNPJWNMRYEY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29032670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.240

Distribution Coefficient, logD

3.240

Water Solubility, LogSw

-3.46

Polar Surface Area

66.502

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

S358-0259 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S358-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S358-0259?
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What is the minimum amount of S358-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S358-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S358-0259
  • 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 S358-0259 available by request