S826-5711 Screening compound: {(3S,4S)-1-(3-fluorobenzyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methyl methyl ether

S826-5711 Screening compound: {(3S,4S)-1-(3-fluorobenzyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methyl methyl ether
S826-5711 Screening compound: {(3S,4S)-1-(3-fluorobenzyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-5711
{(3S,4S)-1-(3-fluorobenzyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methyl methyl ether

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

S826-5711

Molecular Formula

C17H22FN3O3 (C17 H22 FN3 O3)

Compound Name

{(3S,4S)-1-(3-fluorobenzyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methyl methyl ether

IUPAC name

5-[(3S4S)-1-[(3-fluorophenyl)methyl]-4-(methoxymethyl)pyrrolidin-3-yl]-3-(methoxymethyl)-124-oxadiazole

SMILES

COC[C@@H](CN(Cc1cccc(F)c1)C1)[C@H]1c1nc(COC)no1

InChI

InChI=1S/C17H22FN3O3/c1-22-10-13-8-21(7-12-4-3-5-14(18)6-12)9-15(13)17-19-16(11-23-2)20-24-17/h3-6,13,15H,7-11H2,1-2H3/t13-,15+/m0/s1

InChI Key

MJXNZZITJBYQLS-DZGCQCFKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.117

Distribution Coefficient, logD

0.160

Water Solubility, LogSw

-2.56

Polar Surface Area

53.719

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

S826-5711 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S826-5711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-5711?
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What is the minimum amount of S826-5711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-5711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-5711
  • 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 S826-5711 available by request