E554-0129 Screening compound: N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide

E554-0129 Screening compound: N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide
E554-0129 Screening compound: N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E554-0129
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide

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

E554-0129

Molecular Formula

C18H16BrN3O3 (C18 H16 BrN3 O3)

Compound Name

N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide

IUPAC name

N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]-N-methylacetamide

SMILES

CN(C(Cc1nc(-c(cc2)ccc2OC)no1)=O)c(cc1)ccc1Br

InChI

InChI=1S/C18H16BrN3O3/c1-22(14-7-5-13(19)6-8-14)17(23)11-16-20-18(21-25-16)12-3-9-15(24-2)10-4-12/h3-10H,11H2,1-2H3

InChI Key

ILWAAOVJEULXRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-4.20

Polar Surface Area

53.967

Acid Dissociation Constant (pKa)

18.08

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with E554-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E554-0129?
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What is the minimum amount of E554-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E554-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E554-0129
  • 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 E554-0129 available by request