S253-0695 Screening compound: (3-exo)-8-(pyridin-2-ylcarbonyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

S253-0695 Screening compound: (3-exo)-8-(pyridin-2-ylcarbonyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane
S253-0695 Screening compound: (3-exo)-8-(pyridin-2-ylcarbonyl)-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 S253-0695
(3-exo)-8-(pyridin-2-ylcarbonyl)-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

S253-0695

Molecular Formula

C20H19N5O2 (C20 H19 N5 O2)

Compound Name

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

IUPAC name

(1R3R5S)-3-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]-8-(pyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane

SMILES

O=C(c1ncccc1)N([C@@H](CC1)C2)[C@H]1C[C@H]2c1nc(-c2ccncc2)no1

InChI

InChI=1S/C20H19N5O2/c26-20(17-3-1-2-8-22-17)25-15-4-5-16(25)12-14(11-15)19-23-18(24-27-19)13-6-9-21-10-7-13/h1-3,6-10,14-16H,4-5,11-12H2/t14-,15+,16-

InChI Key

OEQKXZFQURXNIV-MUJYYYPQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.968

Distribution Coefficient, logD

1.968

Water Solubility, LogSw

-1.69

Polar Surface Area

65.641

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.00

S253-0695 in Drug Discovery

Included in Screening Libraries

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 S253-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S253-0695?
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What is the minimum amount of S253-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S253-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S253-0695
  • 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 S253-0695 available by request