S828-3361 Screening compound: (2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl (3-fluorophenyl) sulfone

S828-3361 Screening compound: (2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl (3-fluorophenyl) sulfone
S828-3361 Screening compound: (2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl (3-fluorophenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-3361
(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl (3-fluorophenyl) sulfone

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

S828-3361

Molecular Formula

C13H12F3N3O3S (C13 H12 F3 N3 O3 S)

Compound Name

(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl (3-fluorophenyl) sulfone

IUPAC name

2-[(2S)-44-difluoro-1-(3-fluorobenzenesulfonyl)pyrrolidin-2-yl]-5-methyl-134-oxadiazole

SMILES

Cc1nnc([C@H](CC(C2)(F)F)N2S(c2cc(F)ccc2)(=O)=O)o1

InChI

InChI=1S/C13H12F3N3O3S/c1-8-17-18-12(22-8)11-6-13(15,16)7-19(11)23(20,21)10-4-2-3-9(14)5-10/h2-5,11H,6-7H2,1H3/t11-/m0/s1

InChI Key

BRHKTTVBKYGPMZ-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.32

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

1.966

Distribution Coefficient, logD

1.966

Water Solubility, LogSw

-2.62

Polar Surface Area

62.463

Acid Dissociation Constant (pKa)

26.33

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

S828-3361 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S828-3361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-3361?
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What is the minimum amount of S828-3361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-3361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-3361
  • 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 S828-3361 available by request