S828-2777 Screening compound: 2-(4,4-difluoro-1-methanesulfonylpyrrolidin-2-yl)-5-phenyl-1,3,4-oxadiazole

S828-2777 Screening compound: 2-(4,4-difluoro-1-methanesulfonylpyrrolidin-2-yl)-5-phenyl-1,3,4-oxadiazole
S828-2777 Screening compound: 2-(4,4-difluoro-1-methanesulfonylpyrrolidin-2-yl)-5-phenyl-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-2777
2-(4,4-difluoro-1-methanesulfonylpyrrolidin-2-yl)-5-phenyl-1,3,4-oxadiazole

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

S828-2777

Molecular Formula

C13H13F2N3O3S (C13 H13 F2 N3 O3 S)

Compound Name

2-(4,4-difluoro-1-methanesulfonylpyrrolidin-2-yl)-5-phenyl-1,3,4-oxadiazole

IUPAC name

2-[(2S)-44-difluoro-1-methanesulfonylpyrrolidin-2-yl]-5-phenyl-134-oxadiazole

SMILES

CS(N(CC(C1)(F)F)[C@@H]1c1nnc(-c2ccccc2)o1)(=O)=O

InChI

InChI=1S/C13H13F2N3O3S/c1-22(19,20)18-8-13(14,15)7-10(18)12-17-16-11(21-12)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1

InChI Key

YRRFUCBQSYEYRE-JTQLQIEISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-2.42

Polar Surface Area

62.728

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

S828-2777 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S828-2777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-2777?
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What is the minimum amount of S828-2777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-2777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-2777
  • 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 S828-2777 available by request