P181-0594 Screening compound: 3,4-dimethyl-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide

P181-0594 Screening compound: 3,4-dimethyl-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide
P181-0594 Screening compound: 3,4-dimethyl-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0594
3,4-dimethyl-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

P181-0594

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1noc(-c(scc2)c2NC(c2cc(C)c(C)cc2)=O)n1

InChI

InChI=1S/C22H19N3O2S/c1-13-4-7-16(8-5-13)20-24-22(27-25-20)19-18(10-11-28-19)23-21(26)17-9-6-14(2)15(3)12-17/h4-12H,1-3H3,(H,23,26)

InChI Key

IVKPECZYPZCMLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.228

Distribution Coefficient, logD

6.228

Water Solubility, LogSw

-5.43

Polar Surface Area

55.056

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with P181-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0594?
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What is the minimum amount of P181-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0594
  • 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 P181-0594 available by request