F406-1016 Screening compound: 3-[(4-chlorophenyl)methyl]-7-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

F406-1016 Screening compound: 3-[(4-chlorophenyl)methyl]-7-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
F406-1016 Screening compound: 3-[(4-chlorophenyl)methyl]-7-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F406-1016
3-[(4-chlorophenyl)methyl]-7-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

F406-1016

Molecular Formula

C25H19ClN4O4 (C25 H19 ClN4 O4)

Compound Name

3-[(4-chlorophenyl)methyl]-7-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-[(4-chlorophenyl)methyl]-7-[3-(2-ethoxyphenyl)-124-oxadiazol-5-yl]-1234-tetrahydroquinazoline-24-dione

SMILES

CCOc(cccc1)c1-c1noc(-c(cc2)cc(NC(N3Cc(cc4)ccc4Cl)=O)c2C3=O)n1

InChI

InChI=1S/C25H19ClN4O4/c1-2-33-21-6-4-3-5-19(21)22-28-23(34-29-22)16-9-12-18-20(13-16)27-25(32)30(24(18)31)14-15-7-10-17(26)11-8-15/h3-13H,2,14H2,1H3,(H,27,32)

InChI Key

WQXZCQVSJVDHTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.9

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

5.688

Distribution Coefficient, logD

5.688

Water Solubility, LogSw

-5.84

Polar Surface Area

79.096

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F406-1016 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with F406-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F406-1016?
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What is the minimum amount of F406-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F406-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F406-1016
  • 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 F406-1016 available by request