F541-0080 Screening compound: 6-[5-(2,4-DIMETHYLPHENYL)-1,2,4-OXADIAZOL-3-YL]-1,3-DIMETHYL-1,2-DIHYDROQUINOXALIN-2-ONE

F541-0080 Screening compound: 6-[5-(2,4-DIMETHYLPHENYL)-1,2,4-OXADIAZOL-3-YL]-1,3-DIMETHYL-1,2-DIHYDROQUINOXALIN-2-ONE
F541-0080 Screening compound: 6-[5-(2,4-DIMETHYLPHENYL)-1,2,4-OXADIAZOL-3-YL]-1,3-DIMETHYL-1,2-DIHYDROQUINOXALIN-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound F541-0080
6-[5-(2,4-DIMETHYLPHENYL)-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

F541-0080

Molecular Formula

C20H18N4O2 (C20 H18 N4 O2)

Compound Name

6-[5-(2,4-DIMETHYLPHENYL)-1,2,4-OXADIAZOL-3-YL]-1,3-DIMETHYL-1,2-DIHYDROQUINOXALIN-2-ONE

IUPAC name

n/a

SMILES

Cc(cc1)cc(C)c1-c1nc(-c(cc2)cc(N=C3C)c2N(C)C3=O)no1

InChI

InChI=1S/C20H18N4O2/c1-11-5-7-15(12(2)9-11)19-22-18(23-26-19)14-6-8-17-16(10-14)21-13(3)20(25)24(17)4/h5-10H,1-4H3

InChI Key

APRICBLMDWRRQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.991

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-4.19

Polar Surface Area

54.066

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F541-0080 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 F541-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F541-0080?
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What is the minimum amount of F541-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F541-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F541-0080
  • 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 F541-0080 available by request