F541-0612 Screening compound: N-{1-[3-(1-cyclopentyl-3-methyl-2-oxo-1,2-dihydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide

F541-0612 Screening compound: N-{1-[3-(1-cyclopentyl-3-methyl-2-oxo-1,2-dihydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide
F541-0612 Screening compound: N-{1-[3-(1-cyclopentyl-3-methyl-2-oxo-1,2-dihydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F541-0612
N-{1-[3-(1-cyclopentyl-3-methyl-2-oxo-1,2-dihydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide

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

F541-0612

Molecular Formula

C25H27N5O4S (C25 H27 N5 O4 S)

Compound Name

N-{1-[3-(1-cyclopentyl-3-methyl-2-oxo-1,2-dihydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide

IUPAC name

N-{1-[3-(1-cyclopentyl-3-methyl-2-oxo-12-dihydroquinoxalin-6-yl)-124-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide

SMILES

CC(c1nc(-c(cc2)cc(N=C3C)c2N(C2CCCC2)C3=O)no1)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C25H27N5O4S/c1-15-8-11-20(12-9-15)35(32,33)29-16(2)24-27-23(28-34-24)18-10-13-22-21(14-18)26-17(3)25(31)30(22)19-6-4-5-7-19/h8-14,16,19,29H,4-7H2,1-3H3/t16-/m0/s1

InChI Key

LJSDIBHBFLWLTE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27174622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.711

Distribution Coefficient, logD

4.625

Water Solubility, LogSw

-4.48

Polar Surface Area

95.023

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

F541-0612 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F541-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F541-0612?
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What is the minimum amount of F541-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F541-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F541-0612
  • 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 F541-0612 available by request