S253-1086 Screening compound: (3-exo)-8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

S253-1086 Screening compound: (3-exo)-8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane
S253-1086 Screening compound: (3-exo)-8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound S253-1086
(3-exo)-8-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-3-(3-pyridin-4-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

S253-1086

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C2(CC2)C(N([C@@H](CC2)C3)[C@H]2C[C@H]3c2nc(-c3ccncc3)no2)=O)cc1

InChI

InChI=1S/C25H26N4O3/c1-31-21-6-2-18(3-7-21)25(10-11-25)24(30)29-19-4-5-20(29)15-17(14-19)23-27-22(28-32-23)16-8-12-26-13-9-16/h2-3,6-9,12-13,17,19-20H,4-5,10-11,14-15H2,1H3/t17-,19+,20-

InChI Key

HMMNZTTVIABJAJ-FNLKRUPLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

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

3.320

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.10

Polar Surface Area

64.388

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

S253-1086 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S253-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S253-1086?
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What is the minimum amount of S253-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S253-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S253-1086
  • 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 S253-1086 available by request