S827-2398 Screening compound: 1-[4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one

S827-2398 Screening compound: 1-[4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
S827-2398 Screening compound: 1-[4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S827-2398
1-[4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(pyridin-3-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

S827-2398

Molecular Formula

C14H14F2N4O2 (C14 H14 F2 N4 O2)

Compound Name

1-[4,4-difluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one

IUPAC name

1-[(2S)-44-difluoro-2-(3-methyl-124-oxadiazol-5-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one

SMILES

Cc1noc([C@H](CC(C2)(F)F)N2C(Cc2cnccc2)=O)n1

InChI

InChI=1S/C14H14F2N4O2/c1-9-18-13(22-19-9)11-6-14(15,16)8-20(11)12(21)5-10-3-2-4-17-7-10/h2-4,7,11H,5-6,8H2,1H3/t11-/m1/s1

InChI Key

VXOQQYLUKGWZIP-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.137

Distribution Coefficient, logD

1.128

Water Solubility, LogSw

-1.00

Polar Surface Area

57.161

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S827-2398 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S827-2398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S827-2398?
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What is the minimum amount of S827-2398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S827-2398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S827-2398
  • 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 S827-2398 available by request