P181-0495 Screening compound: 4-cyano-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide

P181-0495 Screening compound: 4-cyano-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide
P181-0495 Screening compound: 4-cyano-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0495
4-cyano-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide

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

P181-0495

Molecular Formula

C21H14N4O2S (C21 H14 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1noc(-c(scc2)c2NC(c(cc2)ccc2C#N)=O)n1

InChI

InChI=1S/C21H14N4O2S/c1-13-2-6-15(7-3-13)19-24-21(27-25-19)18-17(10-11-28-18)23-20(26)16-8-4-14(12-22)5-9-16/h2-11H,1H3,(H,23,26)

InChI Key

LCHHHYIYMDCHKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-4.58

Polar Surface Area

72.112

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with P181-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0495?
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What is the minimum amount of P181-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0495
  • 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 P181-0495 available by request