E598-0058 Screening compound: N-cycloheptyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide

E598-0058 Screening compound: N-cycloheptyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
E598-0058 Screening compound: N-cycloheptyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E598-0058
N-cycloheptyl-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

E598-0058

Molecular Formula

C22H30N4O3 (C22 H30 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1noc(N(CCC2)CC2C(NC2CCCCCC2)=O)n1

InChI

InChI=1S/C22H30N4O3/c1-28-19-12-10-16(11-13-19)20-24-22(29-25-20)26-14-6-7-17(15-26)21(27)23-18-8-4-2-3-5-9-18/h10-13,17-18H,2-9,14-15H2,1H3,(H,23,27)/t17-/m0/s1

InChI Key

SBCVMLXVFSUSMY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14902423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.18

Polar Surface Area

67.386

Acid Dissociation Constant (pKa)

14.30

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

E598-0058 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 E598-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E598-0058?
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What is the minimum amount of E598-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E598-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E598-0058
  • 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 E598-0058 available by request