S828-3349 Screening compound: 2-[1-(5-chloro-2-methoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

S828-3349 Screening compound: 2-[1-(5-chloro-2-methoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole
S828-3349 Screening compound: 2-[1-(5-chloro-2-methoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-3349
2-[1-(5-chloro-2-methoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]-5-methyl-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

S828-3349

Molecular Formula

C15H14ClF2N3O3 (C15 H14 ClF2 N3 O3)

Compound Name

2-[1-(5-chloro-2-methoxybenzoyl)-4,4-difluoropyrrolidin-2-yl]-5-methyl-1,3,4-oxadiazole

IUPAC name

2-[(2S)-1-(5-chloro-2-methoxybenzoyl)-44-difluoropyrrolidin-2-yl]-5-methyl-134-oxadiazole

SMILES

Cc1nnc([C@H](CC(C2)(F)F)N2C(c(cc(cc2)Cl)c2OC)=O)o1

InChI

InChI=1S/C15H14ClF2N3O3/c1-8-19-20-13(24-8)11-6-15(17,18)7-21(11)14(22)10-5-9(16)3-4-12(10)23-2/h3-5,11H,6-7H2,1-2H3/t11-/m0/s1

InChI Key

YOFHYTISNSBUMH-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.74

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

2.456

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-3.21

Polar Surface Area

54.254

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

-6.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

S828-3349 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

References: we are preparing a list of scientific research reports with S828-3349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-3349?
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What is the minimum amount of S828-3349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-3349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-3349
  • 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 S828-3349 available by request