S518-0716 Screening compound: 1,4-dihydrochromeno[4,3-c]pyrazol-3-yl(3-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)methanone

S518-0716 Screening compound: 1,4-dihydrochromeno[4,3-c]pyrazol-3-yl(3-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)methanone
S518-0716 Screening compound: 1,4-dihydrochromeno[4,3-c]pyrazol-3-yl(3-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S518-0716
1,4-dihydrochromeno[4,3-c]pyrazol-3-yl(3-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)methanone

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

S518-0716

Molecular Formula

C23H18FN5O4 (C23 H18 FN5 O4)

Compound Name

1,4-dihydrochromeno[4,3-c]pyrazol-3-yl(3-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-azetanyl)methanone

IUPAC name

n/a

SMILES

O=C(c1n[nH]c-2c1COc1c2cccc1)N(C1)CC1c1noc(COc(cc2)ccc2F)n1

InChI

InChI=1S/C23H18FN5O4/c24-14-5-7-15(8-6-14)31-12-19-25-22(28-33-19)13-9-29(10-13)23(30)21-17-11-32-18-4-2-1-3-16(18)20(17)26-27-21/h1-8,13H,9-12H2,(H,26,27)

InChI Key

ZYQRGHZLUJAHMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.167

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.61

Polar Surface Area

88.147

Acid Dissociation Constant (pKa)

6.53

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

S518-0716 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S518-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S518-0716?
Check Price and Availability of S518-0716, 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 S518-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S518-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S518-0716
  • 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 S518-0716 available by request