S253-0864 Screening compound: (3-exo)-8-[(4-fluorophenyl)sulfonyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

S253-0864 Screening compound: (3-exo)-8-[(4-fluorophenyl)sulfonyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane
S253-0864 Screening compound: (3-exo)-8-[(4-fluorophenyl)sulfonyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound S253-0864
(3-exo)-8-[(4-fluorophenyl)sulfonyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

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

S253-0864

Molecular Formula

C20H19FN4O3S (C20 H19 FN4 O3 S)

Compound Name

(3-exo)-8-[(4-fluorophenyl)sulfonyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

IUPAC name

(1R3S5S)-8-(4-fluorobenzenesulfonyl)-3-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octane

SMILES

O=S(c(cc1)ccc1F)(N([C@@H](CC1)C2)[C@H]1C[C@H]2c1nc(-c2cnccc2)no1)=O

InChI

InChI=1S/C20H19FN4O3S/c21-15-3-7-18(8-4-15)29(26,27)25-16-5-6-17(25)11-14(10-16)20-23-19(24-28-20)13-2-1-9-22-12-13/h1-4,7-9,12,14,16-17H,5-6,10-11H2/t14-,16+,17-

InChI Key

XTBWGEUHFGYVQE-ACHSLPGTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-2.87

Polar Surface Area

73.299

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

S253-0864 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S253-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S253-0864?
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What is the minimum amount of S253-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S253-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S253-0864
  • 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 S253-0864 available by request