S826-7209 Screening compound: 1-[3-(hydroxymethyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2,2-dimethylbutan-1-one

S826-7209 Screening compound: 1-[3-(hydroxymethyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2,2-dimethylbutan-1-one
S826-7209 Screening compound: 1-[3-(hydroxymethyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2,2-dimethylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-7209
1-[3-(hydroxymethyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2,2-dimethylbutan-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

S826-7209

Molecular Formula

C18H24N4O3 (C18 H24 N4 O3)

Compound Name

1-[3-(hydroxymethyl)-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2,2-dimethylbutan-1-one

IUPAC name

1-[(3S4S)-3-(hydroxymethyl)-4-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]pyrrolidin-1-yl]-22-dimethylbutan-1-one

SMILES

CCC(C)(C)C(N(C[C@@H]1CO)C[C@@H]1c1nc(-c2ccncc2)no1)=O

InChI

InChI=1S/C18H24N4O3/c1-4-18(2,3)17(24)22-9-13(11-23)14(10-22)16-20-15(21-25-16)12-5-7-19-8-6-12/h5-8,13-14,23H,4,9-11H2,1-3H3/t13-,14+/m0/s1

InChI Key

AGZJZXYZVPWOHO-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.565

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-2.61

Polar Surface Area

75.340

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

S826-7209 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S826-7209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-7209?
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What is the minimum amount of S826-7209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-7209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-7209
  • 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 S826-7209 available by request