F542-0487 Screening compound: 6-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-propyl-1,4-dihydro-2,3-quinoxalinedione

F542-0487 Screening compound: 6-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-propyl-1,4-dihydro-2,3-quinoxalinedione
F542-0487 Screening compound: 6-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-propyl-1,4-dihydro-2,3-quinoxalinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound F542-0487
6-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-propyl-1,4-dihydro-2,3-quinoxalinedione

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

F542-0487

Molecular Formula

C17H18N4O3 (C17 H18 N4 O3)

Compound Name

6-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-1-propyl-1,4-dihydro-2,3-quinoxalinedione

IUPAC name

6-(5-cyclobutyl-124-oxadiazol-3-yl)-1-propyl-1234-tetrahydroquinoxaline-23-dione

SMILES

CCCN(c(ccc(-c1noc(C2CCC2)n1)c1)c1NC1=O)C1=O

InChI

InChI=1S/C17H18N4O3/c1-2-8-21-13-7-6-11(9-12(13)18-15(22)17(21)23)14-19-16(24-20-14)10-4-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,18,22)

InChI Key

AZZHWNDOGLKZRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.330

Water Solubility, LogSw

-3.44

Polar Surface Area

72.477

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

F542-0487 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F542-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F542-0487?
Check Price and Availability of F542-0487, 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 F542-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F542-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F542-0487
  • 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 F542-0487 available by request