5286-0917 Screening compound: N-(3-methoxyphenyl)-2-({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

5286-0917 Screening compound: N-(3-methoxyphenyl)-2-({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
5286-0917 Screening compound: N-(3-methoxyphenyl)-2-({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5286-0917
N-(3-methoxyphenyl)-2-({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

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

5286-0917

Molecular Formula

C22H23N3O4S (C22 H23 N3 O4 S)

Compound Name

N-(3-methoxyphenyl)-2-({5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

IUPAC name

N-(3-methoxyphenyl)-2-({5-[(5678-tetrahydronaphthalen-2-yloxy)methyl]-134-oxadiazol-2-yl}sulfanyl)acetamide

SMILES

COc1cccc(NC(CSc2nnc(COc3cc(CCCC4)c4cc3)o2)=O)c1

InChI

InChI=1S/C22H23N3O4S/c1-27-18-8-4-7-17(12-18)23-20(26)14-30-22-25-24-21(29-22)13-28-19-10-9-15-5-2-3-6-16(15)11-19/h4,7-12H,2-3,5-6,13-14H2,1H3,(H,23,26)

InChI Key

JYJBCYKFBWTYOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.100

Distribution Coefficient, logD

4.100

Water Solubility, LogSw

-4.27

Polar Surface Area

67.843

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

5286-0917 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5286-0917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5286-0917?
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What is the minimum amount of 5286-0917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5286-0917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5286-0917
  • 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 5286-0917 available by request