S594-1264 Screening compound: 1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one

S594-1264 Screening compound: 1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
S594-1264 Screening compound: 1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S594-1264
1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one

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

S594-1264

Molecular Formula

C26H27FN4O3 (C26 H27 FN4 O3)

Compound Name

1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one

IUPAC name

1-(4-{5-[(4-fluorophenoxy)methyl]-124-oxadiazol-3-yl}piperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one

SMILES

O=C(CCCc1c[nH]c2c1cccc2)N(CC1)CCC1c1noc(COc(cc2)ccc2F)n1

InChI

InChI=1S/C26H27FN4O3/c27-20-8-10-21(11-9-20)33-17-24-29-26(30-34-24)18-12-14-31(15-13-18)25(32)7-3-4-19-16-28-23-6-2-1-5-22(19)23/h1-2,5-6,8-11,16,18,28H,3-4,7,12-15,17H2

InChI Key

PXQGETLPWWBXPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.336

Distribution Coefficient, logD

4.336

Water Solubility, LogSw

-4.30

Polar Surface Area

64.801

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

S594-1264 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

PLpro Library (6343 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S594-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S594-1264?
Check Price and Availability of S594-1264, 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 S594-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S594-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S594-1264
  • 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 S594-1264 available by request