S253-0741 Screening compound: (3-exo)-8-[(4-chlorophenyl)acetyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

S253-0741 Screening compound: (3-exo)-8-[(4-chlorophenyl)acetyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane
S253-0741 Screening compound: (3-exo)-8-[(4-chlorophenyl)acetyl]-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 S253-0741
(3-exo)-8-[(4-chlorophenyl)acetyl]-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

S253-0741

Molecular Formula

C22H21ClN4O2 (C22 H21 ClN4 O2)

Compound Name

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

IUPAC name

2-(4-chlorophenyl)-1-[(1R3R5S)-3-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one

SMILES

O=C(Cc(cc1)ccc1Cl)N([C@@H](CC1)C2)[C@H]1C[C@H]2c1nc(-c2ccncc2)no1

InChI

InChI=1S/C22H21ClN4O2/c23-17-3-1-14(2-4-17)11-20(28)27-18-5-6-19(27)13-16(12-18)22-25-21(26-29-22)15-7-9-24-10-8-15/h1-4,7-10,16,18-19H,5-6,11-13H2/t16-,18+,19-

InChI Key

OXMRHKCFTALEPS-GGPHIMKMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-4.08

Polar Surface Area

56.065

Acid Dissociation Constant (pKa)

18.90

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

S253-0741 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 S253-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S253-0741?
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What is the minimum amount of S253-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S253-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S253-0741
  • 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 S253-0741 available by request