F543-0676 Screening compound: 5-{5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-cyclopentyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

F543-0676 Screening compound: 5-{5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-cyclopentyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
F543-0676 Screening compound: 5-{5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-cyclopentyl-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F543-0676
5-{5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-cyclopentyl-2,3-dihydro-1H-1,3-benzodiazol-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

F543-0676

Molecular Formula

C21H19ClN4O3 (C21 H19 ClN4 O3)

Compound Name

5-{5-[(4-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-cyclopentyl-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-{5-[(4-chlorophenoxy)methyl]-124-oxadiazol-3-yl}-1-cyclopentyl-23-dihydro-1H-13-benzodiazol-2-one

SMILES

O=C1N(C2CCCC2)c(ccc(-c2noc(COc(cc3)ccc3Cl)n2)c2)c2N1

InChI

InChI=1S/C21H19ClN4O3/c22-14-6-8-16(9-7-14)28-12-19-24-20(25-29-19)13-5-10-18-17(11-13)23-21(27)26(18)15-3-1-2-4-15/h5-11,15H,1-4,12H2,(H,23,27)

InChI Key

RMCBGPYNQNAGGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.782

Distribution Coefficient, logD

5.782

Water Solubility, LogSw

-6.15

Polar Surface Area

65.220

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F543-0676 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F543-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F543-0676?
Check Price and Availability of F543-0676, 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 F543-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F543-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F543-0676
  • 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 F543-0676 available by request