E598-0325 Screening compound: 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide

E598-0325 Screening compound: 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
E598-0325 Screening compound: 1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E598-0325
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide

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

E598-0325

Molecular Formula

C23H26N4O3 (C23 H26 N4 O3)

Compound Name

1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide

IUPAC name

1-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]-N-(1-phenylethyl)piperidine-3-carboxamide

SMILES

CC(c1ccccc1)NC(C(CCC1)CN1c1nc(-c(cc2)ccc2OC)no1)=O

InChI

InChI=1S/C23H26N4O3/c1-16(17-7-4-3-5-8-17)24-22(28)19-9-6-14-27(15-19)23-25-21(26-30-23)18-10-12-20(29-2)13-11-18/h3-5,7-8,10-13,16,19H,6,9,14-15H2,1-2H3,(H,24,28)

InChI Key

CJPZPDKQQRZMQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.827

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-3.96

Polar Surface Area

66.493

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

E598-0325 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 E598-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E598-0325?
Check Price and Availability of E598-0325, 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 E598-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E598-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E598-0325
  • 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 E598-0325 available by request