S826-4542 Screening compound: {4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}methanol

S826-4542 Screening compound: {4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}methanol
S826-4542 Screening compound: {4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-4542
{4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}methanol

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

S826-4542

Molecular Formula

C15H22N4O3 (C15 H22 N4 O3)

Compound Name

{4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl}methanol

IUPAC name

[(3S4S)-4-[3-(methoxymethyl)-124-oxadiazol-5-yl]-1-[(1-methyl-1H-pyrrol-2-yl)methyl]pyrrolidin-3-yl]methanol

SMILES

Cn1c(CN(C[C@@H]2CO)C[C@@H]2c2nc(COC)no2)ccc1

InChI

InChI=1S/C15H22N4O3/c1-18-5-3-4-12(18)7-19-6-11(9-20)13(8-19)15-16-14(10-21-2)17-22-15/h3-5,11,13,20H,6-10H2,1-2H3/t11-,13+/m1/s1

InChI Key

UVHAUPZGCVFGBM-YPMHNXCESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.743

Distribution Coefficient, logD

-1.312

Water Solubility, LogSw

-1.58

Polar Surface Area

65.308

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

9.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

S826-4542 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S826-4542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-4542?
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What is the minimum amount of S826-4542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-4542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-4542
  • 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 S826-4542 available by request