F542-0859 Screening compound: 6-{5-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

F542-0859 Screening compound: 6-{5-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione
F542-0859 Screening compound: 6-{5-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F542-0859
6-{5-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2,3-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

F542-0859

Molecular Formula

C22H21ClN4O4 (C22 H21 ClN4 O4)

Compound Name

6-{5-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

IUPAC name

6-{5-[(3-chloro-4-methoxyphenyl)methyl]-124-oxadiazol-3-yl}-1-(2-methylpropyl)-1234-tetrahydroquinoxaline-23-dione

SMILES

CC(C)CN(c(ccc(-c1noc(Cc(cc2)cc(Cl)c2OC)n1)c1)c1NC1=O)C1=O

InChI

InChI=1S/C22H21ClN4O4/c1-12(2)11-27-17-6-5-14(10-16(17)24-21(28)22(27)29)20-25-19(31-26-20)9-13-4-7-18(30-3)15(23)8-13/h4-8,10,12H,9,11H2,1-3H3,(H,24,28)

InChI Key

LUEKCXVDBDWDHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.89

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

4.862

Distribution Coefficient, logD

4.843

Water Solubility, LogSw

-4.99

Polar Surface Area

79.272

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F542-0859 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with F542-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F542-0859?
Check Price and Availability of F542-0859, 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 F542-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F542-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F542-0859
  • 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 F542-0859 available by request