J060-1732 Screening compound: N-[(5-methylfuran-2-yl)methyl]-2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)acetamide

J060-1732 Screening compound: N-[(5-methylfuran-2-yl)methyl]-2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)acetamide
J060-1732 Screening compound: N-[(5-methylfuran-2-yl)methyl]-2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J060-1732
N-[(5-methylfuran-2-yl)methyl]-2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}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

J060-1732

Molecular Formula

C18H19N3O3S (C18 H19 N3 O3 S)

Compound Name

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

IUPAC name

N-[(5-methylfuran-2-yl)methyl]-2-({[5-(4-methylphenyl)-124-oxadiazol-3-yl]methyl}sulfanyl)acetamide

SMILES

Cc1ccc(CNC(CSCc2noc(-c3ccc(C)cc3)n2)=O)o1

InChI

InChI=1S/C18H19N3O3S/c1-12-3-6-14(7-4-12)18-20-16(21-24-18)10-25-11-17(22)19-9-15-8-5-13(2)23-15/h3-8H,9-11H2,1-2H3,(H,19,22)

InChI Key

NAPISOMIJJXRTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.05

Polar Surface Area

64.369

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

J060-1732 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J060-1732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J060-1732?
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What is the minimum amount of J060-1732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J060-1732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J060-1732
  • 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 J060-1732 available by request