F406-0829 Screening compound: 3-[(4-methylphenyl)methyl]-7-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

F406-0829 Screening compound: 3-[(4-methylphenyl)methyl]-7-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
F406-0829 Screening compound: 3-[(4-methylphenyl)methyl]-7-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F406-0829
3-[(4-methylphenyl)methyl]-7-{3-[4-(trifluoromethoxy)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

F406-0829

Molecular Formula

C25H17F3N4O4 (C25 H17 F3 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CN(C(c(ccc(-c2nc(-c(cc3)ccc3OC(F)(F)F)no2)c2)c2N2)=O)C2=O)cc1

InChI

InChI=1S/C25H17F3N4O4/c1-14-2-4-15(5-3-14)13-32-23(33)19-11-8-17(12-20(19)29-24(32)34)22-30-21(31-36-22)16-6-9-18(10-7-16)35-25(26,27)28/h2-12H,13H2,1H3,(H,29,34)

InChI Key

ZKWZLXRPUBIKTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27125590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.43

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

6.720

Distribution Coefficient, logD

6.720

Water Solubility, LogSw

-5.60

Polar Surface Area

77.823

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F406-0829 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F406-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F406-0829?
Check Price and Availability of F406-0829, 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 F406-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F406-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F406-0829
  • 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 F406-0829 available by request