J062-0391 Screening compound: 4-tert-butyl-N-[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide

J062-0391 Screening compound: 4-tert-butyl-N-[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide
J062-0391 Screening compound: 4-tert-butyl-N-[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J062-0391
4-tert-butyl-N-[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide

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

J062-0391

Molecular Formula

C23H22N4O4 (C23 H22 N4 O4)

Compound Name

4-tert-butyl-N-[2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl]benzamide

IUPAC name

4-tert-butyl-N-[2-(4-methoxyphenyl)-5-oxo-5H-[134]oxadiazolo[32-a]pyrimidin-6-yl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NC1=CN=C2OC(c(cc3)ccc3OC)=NN2C1=O)=O

InChI

InChI=1S/C23H22N4O4/c1-23(2,3)16-9-5-14(6-10-16)19(28)25-18-13-24-22-27(21(18)29)26-20(31-22)15-7-11-17(30-4)12-8-15/h5-13H,1-4H3,(H,25,28)

InChI Key

GUYDRGCXURYIKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

1.795

Water Solubility, LogSw

-3.58

Polar Surface Area

77.583

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

J062-0391 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with J062-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J062-0391?
Check Price and Availability of J062-0391, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J062-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J062-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J062-0391
  • 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 J062-0391 available by request