F543-0453 Screening compound: 4-methyl-N-{2-methyl-1-[3-(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl}benzene-1-sulfonamide

F543-0453 Screening compound: 4-methyl-N-{2-methyl-1-[3-(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl}benzene-1-sulfonamide
F543-0453 Screening compound: 4-methyl-N-{2-methyl-1-[3-(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F543-0453
4-methyl-N-{2-methyl-1-[3-(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl}benzene-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

F543-0453

Molecular Formula

C23H27N5O4S (C23 H27 N5 O4 S)

Compound Name

4-methyl-N-{2-methyl-1-[3-(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl}benzene-1-sulfonamide

IUPAC name

4-methyl-N-{2-methyl-1-[3-(2-oxo-1-propyl-23-dihydro-1H-13-benzodiazol-5-yl)-124-oxadiazol-5-yl]propyl}benzene-1-sulfonamide

SMILES

CCCN(c(ccc(-c1noc(C(C(C)C)NS(c2ccc(C)cc2)(=O)=O)n1)c1)c1N1)C1=O

InChI

InChI=1S/C23H27N5O4S/c1-5-12-28-19-11-8-16(13-18(19)24-23(28)29)21-25-22(32-26-21)20(14(2)3)27-33(30,31)17-9-6-15(4)7-10-17/h6-11,13-14,20,27H,5,12H2,1-4H3,(H,24,29)/t20-/m0/s1

InChI Key

MZHDMAJHGIHBGG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27175198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.784

Distribution Coefficient, logD

5.704

Water Solubility, LogSw

-5.35

Polar Surface Area

100.313

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

F543-0453 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with F543-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F543-0453?
Check Price and Availability of F543-0453, 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 F543-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F543-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F543-0453
  • 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 F543-0453 available by request