S369-0252 Screening compound: 3-[4-(benzyloxy)phenyl]-5-[6-(4-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-yl]-1,2,4-oxadiazole

S369-0252 Screening compound: 3-[4-(benzyloxy)phenyl]-5-[6-(4-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-yl]-1,2,4-oxadiazole
S369-0252 Screening compound: 3-[4-(benzyloxy)phenyl]-5-[6-(4-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S369-0252
3-[4-(benzyloxy)phenyl]-5-[6-(4-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-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

S369-0252

Molecular Formula

C27H21FN4O3 (C27 H21 FN4 O3)

Compound Name

3-[4-(benzyloxy)phenyl]-5-[6-(4-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-yl]-1,2,4-oxadiazole

IUPAC name

3-[4-(benzyloxy)phenyl]-5-[6-(4-fluorophenyl)-4H6H7H-pyrazolo[32-c][14]oxazin-2-yl]-124-oxadiazole

SMILES

Fc1ccc(C2OCc3cc(-c4nc(-c(cc5)ccc5OCc5ccccc5)no4)nn3C2)cc1

InChI

InChI=1S/C27H21FN4O3/c28-21-10-6-19(7-11-21)25-15-32-22(17-34-25)14-24(30-32)27-29-26(31-35-27)20-8-12-23(13-9-20)33-16-18-4-2-1-3-5-18/h1-14,25H,15-17H2/t25-/m0/s1

InChI Key

LYDGDQFLHGAYQA-VWLOTQADSA-N

MDL Number (MFCD)

MFCD29032723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.382

Distribution Coefficient, logD

5.382

Water Solubility, LogSw

-6.01

Polar Surface Area

60.615

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

S369-0252 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with S369-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S369-0252?
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What is the minimum amount of S369-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S369-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S369-0252
  • 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 S369-0252 available by request