F541-0050 Screening compound: 6-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,3-dimethyl-1,2-dihydroquinoxalin-2-one

F541-0050 Screening compound: 6-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,3-dimethyl-1,2-dihydroquinoxalin-2-one
F541-0050 Screening compound: 6-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,3-dimethyl-1,2-dihydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F541-0050
6-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,3-dimethyl-1,2-dihydroquinoxalin-2-one

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

F541-0050

Molecular Formula

C20H18N4O4 (C20 H18 N4 O4)

Compound Name

6-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,3-dimethyl-1,2-dihydroquinoxalin-2-one

IUPAC name

6-[5-(23-dimethoxyphenyl)-124-oxadiazol-3-yl]-13-dimethyl-12-dihydroquinoxalin-2-one

SMILES

CC1=Nc(cc(cc2)-c3noc(-c(cccc4OC)c4OC)n3)c2N(C)C1=O

InChI

InChI=1S/C20H18N4O4/c1-11-20(25)24(2)15-9-8-12(10-14(15)21-11)18-22-19(28-23-18)13-6-5-7-16(26-3)17(13)27-4/h5-10H,1-4H3

InChI Key

LXEICRXEFFNKBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.42

Polar Surface Area

69.413

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F541-0050 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 F541-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F541-0050?
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What is the minimum amount of F541-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F541-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F541-0050
  • 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 F541-0050 available by request