F406-0961 Screening compound: 3-[(3-chlorophenyl)methyl]-7-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

F406-0961 Screening compound: 3-[(3-chlorophenyl)methyl]-7-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
F406-0961 Screening compound: 3-[(3-chlorophenyl)methyl]-7-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F406-0961
3-[(3-chlorophenyl)methyl]-7-[3-(4-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

F406-0961

Molecular Formula

C25H19ClN4O4 (C25 H19 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c1noc(-c(cc2)cc(NC(N3Cc4cccc(Cl)c4)=O)c2C3=O)n1

InChI

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

InChI Key

KUBFNFJLWDHQIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125619

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

6.130

Distribution Coefficient, logD

6.130

Water Solubility, LogSw

-6.02

Polar Surface Area

79.010

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F406-0961 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F406-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F406-0961?
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What is the minimum amount of F406-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F406-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F406-0961
  • 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 F406-0961 available by request