P181-0530 Screening compound: 2-bromo-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide

P181-0530 Screening compound: 2-bromo-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide
P181-0530 Screening compound: 2-bromo-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P181-0530
2-bromo-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

P181-0530

Molecular Formula

C20H14BrN3O2S (C20 H14 BrN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1noc(-c(scc2)c2NC(c(cccc2)c2Br)=O)n1

InChI

InChI=1S/C20H14BrN3O2S/c1-12-6-8-13(9-7-12)18-23-20(26-24-18)17-16(10-11-27-17)22-19(25)14-4-2-3-5-15(14)21/h2-11H,1H3,(H,22,25)

InChI Key

KJTCBMJAHFXCRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.32

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

5.551

Distribution Coefficient, logD

5.551

Water Solubility, LogSw

-5.44

Polar Surface Area

55.056

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with P181-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P181-0530?
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What is the minimum amount of P181-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P181-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P181-0530
  • 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 P181-0530 available by request