E598-0169 Screening compound: N-[(2-ethoxyphenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide

E598-0169 Screening compound: N-[(2-ethoxyphenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
E598-0169 Screening compound: N-[(2-ethoxyphenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E598-0169
N-[(2-ethoxyphenyl)methyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]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

E598-0169

Molecular Formula

C24H28N4O4 (C24 H28 N4 O4)

Compound Name

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

IUPAC name

N-[(2-ethoxyphenyl)methyl]-1-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]piperidine-3-carboxamide

SMILES

CCOc1c(CNC(C(CCC2)CN2c2nc(-c(cc3)ccc3OC)no2)=O)cccc1

InChI

InChI=1S/C24H28N4O4/c1-3-31-21-9-5-4-7-18(21)15-25-23(29)19-8-6-14-28(16-19)24-26-22(27-32-24)17-10-12-20(30-2)13-11-17/h4-5,7,9-13,19H,3,6,8,14-16H2,1-2H3,(H,25,29)/t19-/m0/s1

InChI Key

KCWMSLLWJDOMGO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14902480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.080

Distribution Coefficient, logD

4.080

Water Solubility, LogSw

-4.12

Polar Surface Area

74.540

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

E598-0169 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E598-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E598-0169?
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What is the minimum amount of E598-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E598-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E598-0169
  • 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 E598-0169 available by request