F541-0691 Screening compound: 6-[5-(5-bromopyridin-3-yl)-1,2,4-oxadiazol-3-yl]-1-cyclopentyl-3-methyl-1,2-dihydroquinoxalin-2-one

F541-0691 Screening compound: 6-[5-(5-bromopyridin-3-yl)-1,2,4-oxadiazol-3-yl]-1-cyclopentyl-3-methyl-1,2-dihydroquinoxalin-2-one
F541-0691 Screening compound: 6-[5-(5-bromopyridin-3-yl)-1,2,4-oxadiazol-3-yl]-1-cyclopentyl-3-methyl-1,2-dihydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F541-0691
6-[5-(5-bromopyridin-3-yl)-1,2,4-oxadiazol-3-yl]-1-cyclopentyl-3-methyl-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

F541-0691

Molecular Formula

C21H18BrN5O2 (C21 H18 BrN5 O2)

Compound Name

6-[5-(5-bromopyridin-3-yl)-1,2,4-oxadiazol-3-yl]-1-cyclopentyl-3-methyl-1,2-dihydroquinoxalin-2-one

IUPAC name

6-[5-(5-bromopyridin-3-yl)-124-oxadiazol-3-yl]-1-cyclopentyl-3-methyl-12-dihydroquinoxalin-2-one

SMILES

CC1=Nc(cc(cc2)-c3noc(-c4cc(Br)cnc4)n3)c2N(C2CCCC2)C1=O

InChI

InChI=1S/C21H18BrN5O2/c1-12-21(28)27(16-4-2-3-5-16)18-7-6-13(9-17(18)24-12)19-25-20(29-26-19)14-8-15(22)11-23-10-14/h6-11,16H,2-5H2,1H3

InChI Key

OKOKBATYPKXWEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

4.307

Water Solubility, LogSw

-4.23

Polar Surface Area

63.224

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F541-0691 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Others
  • Ion Channels
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F541-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F541-0691?
Check Price and Availability of F541-0691, 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 F541-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F541-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F541-0691
  • 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 F541-0691 available by request