S827-1803 Screening compound: 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-(3-fluorophenyl)-1-ethanone

S827-1803 Screening compound: 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-(3-fluorophenyl)-1-ethanone
S827-1803 Screening compound: 1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-(3-fluorophenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-1803
1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-(3-fluorophenyl)-1-ethanone

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

S827-1803

Molecular Formula

C17H16F3N3O2 (C17 H16 F3 N3 O2)

Compound Name

1-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluorotetrahydro-1H-pyrrol-1-yl]-2-(3-fluorophenyl)-1-ethanone

IUPAC name

1-[(2S)-2-(3-cyclopropyl-124-oxadiazol-5-yl)-44-difluoropyrrolidin-1-yl]-2-(3-fluorophenyl)ethan-1-one

SMILES

O=C(Cc1cccc(F)c1)N(CC(C1)(F)F)[C@@H]1c1nc(C2CC2)no1

InChI

InChI=1S/C17H16F3N3O2/c18-12-3-1-2-10(6-12)7-14(24)23-9-17(19,20)8-13(23)16-21-15(22-25-16)11-4-5-11/h1-3,6,11,13H,4-5,7-9H2/t13-/m0/s1

InChI Key

VSYKANRBYWBUPZ-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.618

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-3.75

Polar Surface Area

48.282

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S827-1803 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S827-1803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-1803?
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What is the minimum amount of S827-1803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-1803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-1803
  • 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 S827-1803 available by request