S828-3348 Screening compound: [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](2-quinolyl)methanone

S828-3348 Screening compound: [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](2-quinolyl)methanone
S828-3348 Screening compound: [(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](2-quinolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-3348
[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](2-quinolyl)methanone

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

S828-3348

Molecular Formula

C17H14F2N4O2 (C17 H14 F2 N4 O2)

Compound Name

[(2S)-4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](2-quinolyl)methanone

IUPAC name

2-[(2S)-44-difluoro-2-(5-methyl-134-oxadiazol-2-yl)pyrrolidine-1-carbonyl]quinoline

SMILES

Cc1nnc([C@H](CC(C2)(F)F)N2C(c2nc3ccccc3cc2)=O)o1

InChI

InChI=1S/C17H14F2N4O2/c1-10-21-22-15(25-10)14-8-17(18,19)9-23(14)16(24)13-7-6-11-4-2-3-5-12(11)20-13/h2-7,14H,8-9H2,1H3/t14-/m1/s1

InChI Key

SJBZKYJFEHDFSL-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.400

Distribution Coefficient, logD

2.400

Water Solubility, LogSw

-2.86

Polar Surface Area

54.954

Acid Dissociation Constant (pKa)

26.09

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

S828-3348 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S828-3348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-3348?
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What is the minimum amount of S828-3348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-3348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-3348
  • 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 S828-3348 available by request