S828-3448 Screening compound: 1-[4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one

S828-3448 Screening compound: 1-[4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one
S828-3448 Screening compound: 1-[4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S828-3448
1-[4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one

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

S828-3448

Molecular Formula

C14H17F2N5O2 (C14 H17 F2 N5 O2)

Compound Name

1-[4,4-difluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one

IUPAC name

1-[(2S)-44-difluoro-2-(5-methyl-134-oxadiazol-2-yl)pyrrolidin-1-yl]-3-(4-methyl-1H-pyrazol-1-yl)propan-1-one

SMILES

Cc1cn(CCC(N(CC(C2)(F)F)[C@@H]2c2nnc(C)o2)=O)nc1

InChI

InChI=1S/C14H17F2N5O2/c1-9-6-17-20(7-9)4-3-12(22)21-8-14(15,16)5-11(21)13-19-18-10(2)23-13/h6-7,11H,3-5,8H2,1-2H3/t11-/m1/s1

InChI Key

VWLGXPDDNPXTJL-LLVKDONJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.692

Distribution Coefficient, logD

0.692

Water Solubility, LogSw

-0.55

Polar Surface Area

60.852

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S828-3448 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 S828-3448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S828-3448?
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What is the minimum amount of S828-3448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S828-3448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S828-3448
  • 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 S828-3448 available by request