S826-6654 Screening compound: [1-(3-methylbutyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

S826-6654 Screening compound: [1-(3-methylbutyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol
S826-6654 Screening compound: [1-(3-methylbutyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol alternative view

Chemical Structure Depiction of ChemDiv screening compound S826-6654
[1-(3-methylbutyl)-4-[3-(pyridin-3-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

S826-6654

Molecular Formula

C17H24N4O2 (C17 H24 N4 O2)

Compound Name

[1-(3-methylbutyl)-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

IUPAC name

[(3S4S)-1-(3-methylbutyl)-4-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]pyrrolidin-3-yl]methanol

SMILES

CC(C)CCN(C[C@@H]1CO)C[C@@H]1c1nc(-c2cnccc2)no1

InChI

InChI=1S/C17H24N4O2/c1-12(2)5-7-21-9-14(11-22)15(10-21)17-19-16(20-23-17)13-4-3-6-18-8-13/h3-4,6,8,12,14-15,22H,5,7,9-11H2,1-2H3/t14-,15+/m1/s1

InChI Key

GZEWRLQHVFWRAJ-CABCVRRESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.343

Distribution Coefficient, logD

-0.811

Water Solubility, LogSw

-2.12

Polar Surface Area

62.493

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

10.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

S826-6654 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

CNS MPO Library (28609 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S826-6654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S826-6654?
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What is the minimum amount of S826-6654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S826-6654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S826-6654
  • 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 S826-6654 available by request