E598-0042 Screening compound: 1-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carbonyl}-4-phenylpiperazine

E598-0042 Screening compound: 1-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carbonyl}-4-phenylpiperazine
E598-0042 Screening compound: 1-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carbonyl}-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E598-0042
1-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carbonyl}-4-phenylpiperazine

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

E598-0042

Molecular Formula

C25H29N5O3 (C25 H29 N5 O3)

Compound Name

1-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carbonyl}-4-phenylpiperazine

IUPAC name

1-{1-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]piperidine-3-carbonyl}-4-phenylpiperazine

SMILES

COc(cc1)ccc1-c1noc(N(CCC2)CC2C(N(CC2)CCN2c2ccccc2)=O)n1

InChI

InChI=1S/C25H29N5O3/c1-32-22-11-9-19(10-12-22)23-26-25(33-27-23)30-13-5-6-20(18-30)24(31)29-16-14-28(15-17-29)21-7-3-2-4-8-21/h2-4,7-12,20H,5-6,13-18H2,1H3/t20-/m0/s1

InChI Key

BINXRBGBVIMRAR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14902412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.13

Polar Surface Area

62.825

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with E598-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E598-0042?
Check Price and Availability of E598-0042, 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 E598-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E598-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E598-0042
  • 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 E598-0042 available by request