S253-0865 Screening compound: (3-exo)-8-[(4-methoxyphenyl)acetyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

S253-0865 Screening compound: (3-exo)-8-[(4-methoxyphenyl)acetyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane
S253-0865 Screening compound: (3-exo)-8-[(4-methoxyphenyl)acetyl]-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 S253-0865
(3-exo)-8-[(4-methoxyphenyl)acetyl]-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

S253-0865

Molecular Formula

C23H24N4O3 (C23 H24 N4 O3)

Compound Name

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

IUPAC name

2-(4-methoxyphenyl)-1-[(1R3S5S)-3-[3-(pyridin-3-yl)-124-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one

SMILES

COc1ccc(CC(N([C@@H](CC2)C3)[C@H]2C[C@H]3c2nc(-c3cnccc3)no2)=O)cc1

InChI

InChI=1S/C23H24N4O3/c1-29-20-8-4-15(5-9-20)11-21(28)27-18-6-7-19(27)13-17(12-18)23-25-22(26-30-23)16-3-2-10-24-14-16/h2-5,8-10,14,17-19H,6-7,11-13H2,1H3/t17-,18+,19-

InChI Key

RNQQQZPDWYLFLZ-REPLKXPHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.792

Distribution Coefficient, logD

2.154

Water Solubility, LogSw

-2.63

Polar Surface Area

63.699

Acid Dissociation Constant (pKa)

19.37

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

S253-0865 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S253-0865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S253-0865?
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What is the minimum amount of S253-0865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S253-0865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S253-0865
  • 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 S253-0865 available by request