F541-0486 Screening compound: 4-[3-(3-methyl-2-oxo-1-propyl-1,2-dihydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

F541-0486 Screening compound: 4-[3-(3-methyl-2-oxo-1-propyl-1,2-dihydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
F541-0486 Screening compound: 4-[3-(3-methyl-2-oxo-1-propyl-1,2-dihydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F541-0486
4-[3-(3-methyl-2-oxo-1-propyl-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

F541-0486

Molecular Formula

C21H17N5O2 (C21 H17 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H17N5O2/c1-3-10-26-18-9-8-16(11-17(18)23-13(2)21(26)27)19-24-20(28-25-19)15-6-4-14(12-22)5-7-15/h4-9,11H,3,10H2,1-2H3

InChI Key

LIPBDPAKGAXQBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174542

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

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-4.06

Polar Surface Area

71.335

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F541-0486 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 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 F541-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F541-0486?
Check Price and Availability of F541-0486, 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 F541-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F541-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F541-0486
  • 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 F541-0486 available by request