F541-0339 Screening compound: 4-{3-[3-methyl-2-oxo-1-(propan-2-yl)-1,2-dihydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile

F541-0339 Screening compound: 4-{3-[3-methyl-2-oxo-1-(propan-2-yl)-1,2-dihydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile
F541-0339 Screening compound: 4-{3-[3-methyl-2-oxo-1-(propan-2-yl)-1,2-dihydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F541-0339
4-{3-[3-methyl-2-oxo-1-(propan-2-yl)-1,2-dihydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile

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

F541-0339

Molecular Formula

C21H17N5O2 (C21 H17 N5 O2)

Compound Name

4-{3-[3-methyl-2-oxo-1-(propan-2-yl)-1,2-dihydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}benzonitrile

IUPAC name

4-{3-[3-methyl-2-oxo-1-(propan-2-yl)-12-dihydroquinoxalin-6-yl]-124-oxadiazol-5-yl}benzonitrile

SMILES

CC(C)N(c(ccc(-c1noc(-c(cc2)ccc2C#N)n1)c1)c1N=C1C)C1=O

InChI

InChI=1S/C21H17N5O2/c1-12(2)26-18-9-8-16(10-17(18)23-13(3)21(26)27)19-24-20(28-25-19)15-6-4-14(11-22)5-7-15/h4-10,12H,1-3H3

InChI Key

QQBRLZOTQSLDKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.08

Polar Surface Area

71.077

Acid Dissociation Constant (pKa)

26.11

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F541-0339 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F541-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F541-0339?
Check Price and Availability of F541-0339, 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 F541-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F541-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F541-0339
  • 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 F541-0339 available by request