F543-0452 Screening compound: N~1~-(4-{[3-(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}phenyl)acetamide

F543-0452 Screening compound: N~1~-(4-{[3-(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}phenyl)acetamide
F543-0452 Screening compound: N~1~-(4-{[3-(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F543-0452
N~1~-(4-{[3-(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}phenyl)acetamide

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

F543-0452

Molecular Formula

C21H21N5O3 (C21 H21 N5 O3)

Compound Name

N~1~-(4-{[3-(2-oxo-1-propyl-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}phenyl)acetamide

IUPAC name

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

SMILES

CCCN(c(ccc(-c1noc(Cc(cc2)ccc2NC(C)=O)n1)c1)c1N1)C1=O

InChI

InChI=1S/C21H21N5O3/c1-3-10-26-18-9-6-15(12-17(18)23-21(26)28)20-24-19(29-25-20)11-14-4-7-16(8-5-14)22-13(2)27/h4-9,12H,3,10-11H2,1-2H3,(H,22,27)(H,23,28)

InChI Key

RYADUEBWSXJELO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27175197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.994

Distribution Coefficient, logD

3.994

Water Solubility, LogSw

-4.07

Polar Surface Area

81.645

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

F543-0452 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with F543-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F543-0452?
Check Price and Availability of F543-0452, 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 F543-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F543-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F543-0452
  • 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 F543-0452 available by request