S827-2921 Screening compound: 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(pyridin-4-yl)ethan-1-one

S827-2921 Screening compound: 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(pyridin-4-yl)ethan-1-one
S827-2921 Screening compound: 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(pyridin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-2921
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(pyridin-4-yl)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

S827-2921

Molecular Formula

C16H16F2N4O2 (C16 H16 F2 N4 O2)

Compound Name

1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-2-(pyridin-4-yl)ethan-1-one

IUPAC name

1-[(2S)-2-(3-cyclopropyl-124-oxadiazol-5-yl)-44-difluoropyrrolidin-1-yl]-2-(pyridin-4-yl)ethan-1-one

SMILES

O=C(Cc1ccncc1)N(CC(C1)(F)F)[C@@H]1c1nc(C2CC2)no1

InChI

InChI=1S/C16H16F2N4O2/c17-16(18)8-12(15-20-14(21-24-15)11-1-2-11)22(9-16)13(23)7-10-3-5-19-6-4-10/h3-6,11-12H,1-2,7-9H2/t12-/m1/s1

InChI Key

UNUKIBMYVZAPJC-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.094

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-2.30

Polar Surface Area

57.710

Acid Dissociation Constant (pKa)

19.03

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S827-2921 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 S827-2921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-2921?
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What is the minimum amount of S827-2921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-2921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-2921
  • 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 S827-2921 available by request