S354-0597 Screening compound: 3-(3,4-difluorophenyl)-5-[6-(2,4-dimethylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazole

S354-0597 Screening compound: 3-(3,4-difluorophenyl)-5-[6-(2,4-dimethylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazole
S354-0597 Screening compound: 3-(3,4-difluorophenyl)-5-[6-(2,4-dimethylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S354-0597
3-(3,4-difluorophenyl)-5-[6-(2,4-dimethylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-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

S354-0597

Molecular Formula

C21H17F2N5O2 (C21 H17 F2 N5 O2)

Compound Name

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

IUPAC name

3-(34-difluorophenyl)-5-[6-(24-dimethylphenyl)-4H6H7H-[123]triazolo[43-c][14]oxazin-3-yl]-124-oxadiazole

SMILES

Cc1cc(C)c(C2OCc3c(-c4nc(-c(cc5)cc(F)c5F)no4)nnn3C2)cc1

InChI

InChI=1S/C21H17F2N5O2/c1-11-3-5-14(12(2)7-11)18-9-28-17(10-29-18)19(25-27-28)21-24-20(26-30-21)13-4-6-15(22)16(23)8-13/h3-8,18H,9-10H2,1-2H3/t18-/m1/s1

InChI Key

SRKVSKFYJRYCSJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29000589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.4

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

4.763

Distribution Coefficient, logD

4.763

Water Solubility, LogSw

-4.58

Polar Surface Area

66.165

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

S354-0597 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S354-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S354-0597?
Check Price and Availability of S354-0597, 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 S354-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S354-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S354-0597
  • 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 S354-0597 available by request