F542-0072 Screening compound: 1-methyl-6-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydroquinoxaline-2,3-dione

F542-0072 Screening compound: 1-methyl-6-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydroquinoxaline-2,3-dione
F542-0072 Screening compound: 1-methyl-6-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydroquinoxaline-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F542-0072
1-methyl-6-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-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

F542-0072

Molecular Formula

C20H18N4O6 (C20 H18 N4 O6)

Compound Name

1-methyl-6-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydroquinoxaline-2,3-dione

IUPAC name

1-methyl-6-[5-(345-trimethoxyphenyl)-124-oxadiazol-3-yl]-1234-tetrahydroquinoxaline-23-dione

SMILES

CN(c(ccc(-c1noc(-c(cc2OC)cc(OC)c2OC)n1)c1)c1NC1=O)C1=O

InChI

InChI=1S/C20H18N4O6/c1-24-13-6-5-10(7-12(13)21-18(25)20(24)26)17-22-19(30-23-17)11-8-14(27-2)16(29-4)15(9-11)28-3/h5-9H,1-4H3,(H,21,25)

InChI Key

JACOJCPCZQCNGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-3.21

Polar Surface Area

94.719

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F542-0072 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F542-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F542-0072?
Check Price and Availability of F542-0072, 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 F542-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F542-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F542-0072
  • 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 F542-0072 available by request