F406-0945 Screening compound: 3-[(3-chlorophenyl)methyl]-7-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

F406-0945 Screening compound: 3-[(3-chlorophenyl)methyl]-7-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
F406-0945 Screening compound: 3-[(3-chlorophenyl)methyl]-7-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F406-0945
3-[(3-chlorophenyl)methyl]-7-{3-[4-(methylsulfanyl)phenyl]-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

F406-0945

Molecular Formula

C24H17ClN4O3S (C24 H17 ClN4 O3 S)

Compound Name

3-[(3-chlorophenyl)methyl]-7-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-[(3-chlorophenyl)methyl]-7-{3-[4-(methylsulfanyl)phenyl]-124-oxadiazol-5-yl}-1234-tetrahydroquinazoline-24-dione

SMILES

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

InChI

InChI=1S/C24H17ClN4O3S/c1-33-18-8-5-15(6-9-18)21-27-22(32-28-21)16-7-10-19-20(12-16)26-24(31)29(23(19)30)13-14-3-2-4-17(25)11-14/h2-12H,13H2,1H3,(H,26,31)

InChI Key

NAGPAOMNYINHHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.481

Distribution Coefficient, logD

6.480

Water Solubility, LogSw

-6.16

Polar Surface Area

71.886

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

F406-0945 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F406-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F406-0945?
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What is the minimum amount of F406-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F406-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F406-0945
  • 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 F406-0945 available by request