E613-0978 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-0978 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-0978 Screening compound: N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0978
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

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

E613-0978

Molecular Formula

C24H29N3O3S (C24 H29 N3 O3 S)

Compound Name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

IUPAC name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-{[5-(thiophen-2-yl)-12-oxazol-3-yl]methoxy}acetamide

SMILES

O=C(COCc1noc(-c2cccs2)c1)NCCN1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C24H29N3O3S/c28-24(18-29-17-21-16-22(30-26-21)23-7-4-14-31-23)25-10-13-27-11-8-20(9-12-27)15-19-5-2-1-3-6-19/h1-7,14,16,20H,8-13,15,17-18H2,(H,25,28)

InChI Key

REYWMYBNEBHITD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-4.12

Polar Surface Area

59.474

Acid Dissociation Constant (pKa)

13.58

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

E613-0978 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 E613-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0978?
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What is the minimum amount of E613-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0978
  • 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 E613-0978 available by request