S828-0359 Screening compound: 2-[4,4-difluoro-1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole

S828-0359 Screening compound: 2-[4,4-difluoro-1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole
S828-0359 Screening compound: 2-[4,4-difluoro-1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-0359
2-[4,4-difluoro-1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]-5-ethyl-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

S828-0359

Molecular Formula

C13H14F2N4O3 (C13 H14 F2 N4 O3)

Compound Name

2-[4,4-difluoro-1-(2-methyl-1,3-oxazole-4-carbonyl)pyrrolidin-2-yl]-5-ethyl-1,3,4-oxadiazole

IUPAC name

2-[(2S)-44-difluoro-1-(2-methyl-13-oxazole-4-carbonyl)pyrrolidin-2-yl]-5-ethyl-134-oxadiazole

SMILES

CCc1nnc([C@H](CC(C2)(F)F)N2C(c2coc(C)n2)=O)o1

InChI

InChI=1S/C13H14F2N4O3/c1-3-10-17-18-11(22-10)9-4-13(14,15)6-19(9)12(20)8-5-21-7(2)16-8/h5,9H,3-4,6H2,1-2H3/t9-/m1/s1

InChI Key

OGGFIIKWYNWNSP-SECBINFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.291

Distribution Coefficient, logD

1.291

Water Solubility, LogSw

-1.19

Polar Surface Area

65.030

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

S828-0359 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S828-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-0359?
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What is the minimum amount of S828-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-0359
  • 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 S828-0359 available by request