S826-5415 Screening compound: {(3S,4S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methyl methyl ether

S826-5415 Screening compound: {(3S,4S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]tetrahydro-1H-pyrrol-3-yl}methyl methyl ether
S826-5415 Screening compound: {(3S,4S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-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 S826-5415
{(3S,4S)-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-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

S826-5415

Molecular Formula

C16H25N5O3 (C16 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCn1ncc(CN(C[C@@H]2COC)C[C@@H]2c2nc(COC)no2)c1

InChI

InChI=1S/C16H25N5O3/c1-4-21-7-12(5-17-21)6-20-8-13(10-22-2)14(9-20)16-18-15(11-23-3)19-24-16/h5,7,13-14H,4,6,8-11H2,1-3H3/t13-,14+/m1/s1

InChI Key

OWWQHEOVZGJZBT-KGLIPLIRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.518

Distribution Coefficient, logD

-6.341

Water Solubility, LogSw

-1.29

Polar Surface Area

68.221

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

14.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.75

S826-5415 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 S826-5415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-5415?
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What is the minimum amount of S826-5415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-5415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-5415
  • 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 S826-5415 available by request