S826-6197 Screening compound: [1-(1-methyl-1H-pyrrole-2-carbonyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

S826-6197 Screening compound: [1-(1-methyl-1H-pyrrole-2-carbonyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol
S826-6197 Screening compound: [1-(1-methyl-1H-pyrrole-2-carbonyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-6197
[1-(1-methyl-1H-pyrrole-2-carbonyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]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

S826-6197

Molecular Formula

C18H19N5O3 (C18 H19 N5 O3)

Compound Name

[1-(1-methyl-1H-pyrrole-2-carbonyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

IUPAC name

[(3S4S)-1-(1-methyl-1H-pyrrole-2-carbonyl)-4-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

SMILES

Cn1c(C(N(C[C@@H]2CO)C[C@@H]2c2nc(-c3ccncc3)no2)=O)ccc1

InChI

InChI=1S/C18H19N5O3/c1-22-8-2-3-15(22)18(25)23-9-13(11-24)14(10-23)17-20-16(21-26-17)12-4-6-19-7-5-12/h2-8,13-14,24H,9-11H2,1H3/t13-,14+/m0/s1

InChI Key

LOUOWKHATOXEIX-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.947

Distribution Coefficient, logD

1.947

Water Solubility, LogSw

-2.18

Polar Surface Area

77.486

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

S826-6197 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S826-6197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-6197?
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What is the minimum amount of S826-6197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-6197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-6197
  • 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 S826-6197 available by request