S253-0749 Screening compound: (3-exo)-8-[3-(4-methoxyphenyl)propanoyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane

S253-0749 Screening compound: (3-exo)-8-[3-(4-methoxyphenyl)propanoyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane
S253-0749 Screening compound: (3-exo)-8-[3-(4-methoxyphenyl)propanoyl]-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 S253-0749
(3-exo)-8-[3-(4-methoxyphenyl)propanoyl]-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

S253-0749

Molecular Formula

C24H26N4O3 (C24 H26 N4 O3)

Compound Name

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

IUPAC name

3-(4-methoxyphenyl)-1-[(1R3R5S)-3-[3-(pyridin-4-yl)-124-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one

SMILES

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

InChI

InChI=1S/C24H26N4O3/c1-30-21-7-2-16(3-8-21)4-9-22(29)28-19-5-6-20(28)15-18(14-19)24-26-23(27-31-24)17-10-12-25-13-11-17/h2-3,7-8,10-13,18-20H,4-6,9,14-15H2,1H3/t18-,19+,20-

InChI Key

RQQRRZMKQGMKGO-ACDBMABISA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.443

Distribution Coefficient, logD

3.443

Water Solubility, LogSw

-3.24

Polar Surface Area

63.609

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.67

S253-0749 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 S253-0749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S253-0749?
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What is the minimum amount of S253-0749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S253-0749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S253-0749
  • 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 S253-0749 available by request