S828-5449 Screening compound: 1-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one

S828-5449 Screening compound: 1-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one
S828-5449 Screening compound: 1-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-5449
1-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-(3-methylphenoxy)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

S828-5449

Molecular Formula

C17H19F2N3O3 (C17 H19 F2 N3 O3)

Compound Name

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

IUPAC name

1-[(2S)-2-(5-ethyl-134-oxadiazol-2-yl)-44-difluoropyrrolidin-1-yl]-2-(3-methylphenoxy)ethan-1-one

SMILES

CCc1nnc([C@H](CC(C2)(F)F)N2C(COc2cc(C)ccc2)=O)o1

InChI

InChI=1S/C17H19F2N3O3/c1-3-14-20-21-16(25-14)13-8-17(18,19)10-22(13)15(23)9-24-12-6-4-5-11(2)7-12/h4-7,13H,3,8-10H2,1-2H3/t13-/m1/s1

InChI Key

GOZWHMGGESEJFL-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.735

Distribution Coefficient, logD

2.735

Water Solubility, LogSw

-2.77

Polar Surface Area

54.033

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-4.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

S828-5449 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 S828-5449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-5449?
Check Price and Availability of S828-5449, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S828-5449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-5449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-5449
  • 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 S828-5449 available by request