J062-0031 Screening compound: 4-fluoro-N-{5-oxo-2-phenyl-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl}benzamide

J062-0031 Screening compound: 4-fluoro-N-{5-oxo-2-phenyl-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl}benzamide
J062-0031 Screening compound: 4-fluoro-N-{5-oxo-2-phenyl-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J062-0031
4-fluoro-N-{5-oxo-2-phenyl-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

J062-0031

Molecular Formula

C18H11FN4O3 (C18 H11 FN4 O3)

Compound Name

4-fluoro-N-{5-oxo-2-phenyl-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidin-6-yl}benzamide

IUPAC name

4-fluoro-N-{5-oxo-2-phenyl-5H-[134]oxadiazolo[32-a]pyrimidin-6-yl}benzamide

SMILES

O=C(c(cc1)ccc1F)NC1=CN=C2OC(c3ccccc3)=NN2C1=O

InChI

InChI=1S/C18H11FN4O3/c19-13-8-6-11(7-9-13)15(24)21-14-10-20-18-23(17(14)25)22-16(26-18)12-4-2-1-3-5-12/h1-10H,(H,21,24)

InChI Key

SZYWCGCOKXVQOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.527

Distribution Coefficient, logD

-0.887

Water Solubility, LogSw

-2.04

Polar Surface Area

70.040

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

J062-0031 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J062-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J062-0031?
Check Price and Availability of J062-0031, 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 J062-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J062-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J062-0031
  • 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 J062-0031 available by request