E554-0030 Screening compound: N-benzyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide

E554-0030 Screening compound: N-benzyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide
E554-0030 Screening compound: N-benzyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E554-0030
N-benzyl-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

E554-0030

Molecular Formula

C19H19N3O3 (C19 H19 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(Cc1ccccc1)C(Cc1nc(-c(cc2)ccc2OC)no1)=O

InChI

InChI=1S/C19H19N3O3/c1-22(13-14-6-4-3-5-7-14)18(23)12-17-20-19(21-25-17)15-8-10-16(24-2)11-9-15/h3-11H,12-13H2,1-2H3

InChI Key

XWSAPARCHUBCDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14898265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-4.16

Polar Surface Area

54.748

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

E554-0030 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E554-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E554-0030?
Check Price and Availability of E554-0030, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E554-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E554-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E554-0030
  • 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 E554-0030 available by request