F406-0331 Screening compound: 3-butyl-7-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

F406-0331 Screening compound: 3-butyl-7-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
F406-0331 Screening compound: 3-butyl-7-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F406-0331
3-butyl-7-[3-(2-methylphenyl)-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

F406-0331

Molecular Formula

C21H20N4O3 (C21 H20 N4 O3)

Compound Name

3-butyl-7-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-butyl-7-[3-(2-methylphenyl)-124-oxadiazol-5-yl]-1234-tetrahydroquinazoline-24-dione

SMILES

CCCCN(C(c(ccc(-c1nc(-c2c(C)cccc2)no1)c1)c1N1)=O)C1=O

InChI

InChI=1S/C21H20N4O3/c1-3-4-11-25-20(26)16-10-9-14(12-17(16)22-21(25)27)19-23-18(24-28-19)15-8-6-5-7-13(15)2/h5-10,12H,3-4,11H2,1-2H3,(H,22,27)

InChI Key

OASZULIJJGSKOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18201756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

4.834

Water Solubility, LogSw

-4.37

Polar Surface Area

72.136

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F406-0331 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F406-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F406-0331?
Check Price and Availability of F406-0331, 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 F406-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F406-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F406-0331
  • 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 F406-0331 available by request