E017-0541 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

E017-0541 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
E017-0541 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E017-0541
N-[2-(4-ethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-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

E017-0541

Molecular Formula

C22H29N5O3S (C22 H29 N5 O3 S)

Compound Name

N-[2-(4-ethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

IUPAC name

N-[2-(4-ethoxyphenyl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-134-thiadiazol-2-yl]piperidine-3-carboxamide

SMILES

CCOc1ccc(CCNC(C(CCC2)CN2c2nnc(N(CCC3)C3=O)s2)=O)cc1

InChI

InChI=1S/C22H29N5O3S/c1-2-30-18-9-7-16(8-10-18)11-12-23-20(29)17-5-3-13-26(15-17)21-24-25-22(31-21)27-14-4-6-19(27)28/h7-10,17H,2-6,11-15H2,1H3,(H,23,29)/t17-/m0/s1

InChI Key

RGMNOLXXSDFQRK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14838996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.57

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

2.556

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-2.78

Polar Surface Area

74.953

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

E017-0541 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E017-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E017-0541?
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What is the minimum amount of E017-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E017-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E017-0541
  • 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 E017-0541 available by request