S826-3905 Screening compound: 2-(4-FLUOROPHENOXY)-1-[3-(METHOXYMETHYL)-4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)PYRROLIDIN-1-YL]ETHAN-1-ONE

S826-3905 Screening compound: 2-(4-FLUOROPHENOXY)-1-[3-(METHOXYMETHYL)-4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)PYRROLIDIN-1-YL]ETHAN-1-ONE
S826-3905 Screening compound: 2-(4-FLUOROPHENOXY)-1-[3-(METHOXYMETHYL)-4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)PYRROLIDIN-1-YL]ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-3905
2-(4-FLUOROPHENOXY)-1-[3-(METHOXYMETHYL)-4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)PYRROLIDIN-1-YL]ETHAN-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

S826-3905

Molecular Formula

C17H20FN3O4 (C17 H20 FN3 O4)

Compound Name

2-(4-FLUOROPHENOXY)-1-[3-(METHOXYMETHYL)-4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)PYRROLIDIN-1-YL]ETHAN-1-ONE

IUPAC name

n/a

SMILES

Cc1noc([C@@H](C2)[C@@H](COC)CN2C(COc(cc2)ccc2F)=O)n1

InChI

InChI=1S/C17H20FN3O4/c1-11-19-17(25-20-11)15-8-21(7-12(15)9-23-2)16(22)10-24-14-5-3-13(18)4-6-14/h3-6,12,15H,7-10H2,1-2H3/t12-,15+/m0/s1

InChI Key

OINUMVHLKUPRJD-SWLSCSKDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.451

Distribution Coefficient, logD

1.451

Water Solubility, LogSw

-2.23

Polar Surface Area

63.805

Acid Dissociation Constant (pKa)

24.19

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.10

S826-3905 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S826-3905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-3905?
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What is the minimum amount of S826-3905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-3905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-3905
  • 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 S826-3905 available by request