S460-0877 Screening compound: 1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one

S460-0877 Screening compound: 1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one
S460-0877 Screening compound: 1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S460-0877
1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(4-fluorophenoxy)ethan-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

S460-0877

Molecular Formula

C19H19FN6O3 (C19 H19 FN6 O3)

Compound Name

1-{3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one

IUPAC name

1-{3-[4-(3-cyclopropyl-124-oxadiazol-5-yl)-1H-123-triazol-1-yl]pyrrolidin-1-yl}-2-(4-fluorophenoxy)ethan-1-one

SMILES

O=C(COc(cc1)ccc1F)N(CC1)CC1n1nnc(-c2nc(C3CC3)no2)c1

InChI

InChI=1S/C19H19FN6O3/c20-13-3-5-15(6-4-13)28-11-17(27)25-8-7-14(9-25)26-10-16(22-24-26)19-21-18(23-29-19)12-1-2-12/h3-6,10,12,14H,1-2,7-9,11H2/t14-/m1/s1

InChI Key

SNDJTYVVTKRHLT-CQSZACIVSA-N

MDL Number (MFCD)

MFCD29010725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.867

Distribution Coefficient, logD

1.867

Water Solubility, LogSw

-1.95

Polar Surface Area

82.093

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

1.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

S460-0877 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S460-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S460-0877?
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What is the minimum amount of S460-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S460-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S460-0877
  • 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 S460-0877 available by request