P181-0545 Screening compound: 2-(2-fluorophenyl)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}acetamide

P181-0545 Screening compound: 2-(2-fluorophenyl)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}acetamide
P181-0545 Screening compound: 2-(2-fluorophenyl)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0545
2-(2-fluorophenyl)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}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

P181-0545

Molecular Formula

C21H16FN3O2S (C21 H16 FN3 O2 S)

Compound Name

2-(2-fluorophenyl)-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}acetamide

IUPAC name

2-(2-fluorophenyl)-N-{2-[3-(4-methylphenyl)-124-oxadiazol-5-yl]thiophen-3-yl}acetamide

SMILES

Cc(cc1)ccc1-c1noc(-c(scc2)c2NC(Cc(cccc2)c2F)=O)n1

InChI

InChI=1S/C21H16FN3O2S/c1-13-6-8-14(9-7-13)20-24-21(27-25-20)19-17(10-11-28-19)23-18(26)12-15-4-2-3-5-16(15)22/h2-11H,12H2,1H3,(H,23,26)

InChI Key

XZRWZRKNMXMGHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.312

Distribution Coefficient, logD

5.312

Water Solubility, LogSw

-5.30

Polar Surface Area

54.843

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-3.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

References: we are preparing a list of scientific research reports with P181-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0545?
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What is the minimum amount of P181-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0545
  • 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 P181-0545 available by request