J060-0772 Screening compound: 2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)-N-(prop-2-en-1-yl)acetamide

J060-0772 Screening compound: 2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
J060-0772 Screening compound: 2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J060-0772
2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)-N-(prop-2-en-1-yl)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

J060-0772

Molecular Formula

C15H17N3O2S (C15 H17 N3 O2 S)

Compound Name

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

IUPAC name

2-({[5-(4-methylphenyl)-124-oxadiazol-3-yl]methyl}sulfanyl)-N-(prop-2-en-1-yl)acetamide

SMILES

Cc(cc1)ccc1-c1nc(CSCC(NCC=C)=O)no1

InChI

InChI=1S/C15H17N3O2S/c1-3-8-16-14(19)10-21-9-13-17-15(20-18-13)12-6-4-11(2)5-7-12/h3-7H,1,8-10H2,2H3,(H,16,19)

InChI Key

RIKUHFQJNQAZIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.739

Distribution Coefficient, logD

2.739

Water Solubility, LogSw

-3.07

Polar Surface Area

57.219

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

J060-0772 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J060-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J060-0772?
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What is the minimum amount of J060-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J060-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J060-0772
  • 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 J060-0772 available by request