S827-4119 Screening compound: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]propan-1-one

S827-4119 Screening compound: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]propan-1-one
S827-4119 Screening compound: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-4119
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]propan-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

S827-4119

Molecular Formula

C16H20F2N4O3 (C16 H20 F2 N4 O3)

Compound Name

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]propan-1-one

IUPAC name

3-(35-dimethyl-12-oxazol-4-yl)-1-[(2S)-2-(3-ethyl-124-oxadiazol-5-yl)-44-difluoropyrrolidin-1-yl]propan-1-one

SMILES

CCc1noc([C@H](CC(C2)(F)F)N2C(CCc2c(C)onc2C)=O)n1

InChI

InChI=1S/C16H20F2N4O3/c1-4-13-19-15(25-21-13)12-7-16(17,18)8-22(12)14(23)6-5-11-9(2)20-24-10(11)3/h12H,4-8H2,1-3H3/t12-/m1/s1

InChI Key

DRBWMBUAACXLAC-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.435

Distribution Coefficient, logD

2.435

Water Solubility, LogSw

-2.11

Polar Surface Area

71.059

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

S827-4119 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S827-4119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-4119?
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What is the minimum amount of S827-4119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-4119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-4119
  • 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 S827-4119 available by request