5242-1123 Screening compound: N-(2-ethylphenyl)-2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

5242-1123 Screening compound: N-(2-ethylphenyl)-2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
5242-1123 Screening compound: N-(2-ethylphenyl)-2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5242-1123
N-(2-ethylphenyl)-2-({5-[(4-methylphenoxy)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

5242-1123

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

N-(2-ethylphenyl)-2-({5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide

IUPAC name

N-(2-ethylphenyl)-2-({5-[(4-methylphenoxy)methyl]-134-oxadiazol-2-yl}sulfanyl)acetamide

SMILES

CCc(cccc1)c1NC(CSc1nnc(COc2ccc(C)cc2)o1)=O

InChI

InChI=1S/C20H21N3O3S/c1-3-15-6-4-5-7-17(15)21-18(24)13-27-20-23-22-19(26-20)12-25-16-10-8-14(2)9-11-16/h4-11H,3,12-13H2,1-2H3,(H,21,24)

InChI Key

JMFBKVGICHFUDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.693

Distribution Coefficient, logD

3.693

Water Solubility, LogSw

-3.69

Polar Surface Area

59.680

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 5242-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5242-1123?
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What is the minimum amount of 5242-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5242-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5242-1123
  • 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 5242-1123 available by request