S827-3089 Screening compound: 1-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one

S827-3089 Screening compound: 1-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
S827-3089 Screening compound: 1-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-3089
1-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,5-dimethyl-1H-pyrazol-1-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

S827-3089

Molecular Formula

C15H19F2N5O3 (C15 H19 F2 N5 O3)

Compound Name

1-{4,4-difluoro-2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one

IUPAC name

1-[(2S)-44-difluoro-2-[3-(methoxymethyl)-124-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(35-dimethyl-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc1cc(C)nn1CC(N(CC(C1)(F)F)[C@@H]1c1nc(COC)no1)=O

InChI

InChI=1S/C15H19F2N5O3/c1-9-4-10(2)22(19-9)6-13(23)21-8-15(16,17)5-11(21)14-18-12(7-24-3)20-25-14/h4,11H,5-8H2,1-3H3/t11-/m1/s1

InChI Key

NOTKBECGNPPVEW-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.498

Distribution Coefficient, logD

0.498

Water Solubility, LogSw

-0.99

Polar Surface Area

71.451

Acid Dissociation Constant (pKa)

25.22

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S827-3089 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S827-3089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-3089?
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What is the minimum amount of S827-3089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-3089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-3089
  • 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 S827-3089 available by request