E017-0155 Screening compound: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide

E017-0155 Screening compound: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide
E017-0155 Screening compound: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylpropyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E017-0155
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-phenylpropyl)piperidine-4-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

E017-0155

Molecular Formula

C21H27N5O2S (C21 H27 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CNC(C(CC1)CCN1c1nnc(N(CCC2)C2=O)s1)=O)c1ccccc1

InChI

InChI=1S/C21H27N5O2S/c1-15(16-6-3-2-4-7-16)14-22-19(28)17-9-12-25(13-10-17)20-23-24-21(29-20)26-11-5-8-18(26)27/h2-4,6-7,15,17H,5,8-14H2,1H3,(H,22,28)/t15-/m0/s1

InChI Key

AEQVZVNQGFDWHF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14838875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.43

Polar Surface Area

68.055

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

E017-0155 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 E017-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E017-0155?
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What is the minimum amount of E017-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E017-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E017-0155
  • 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 E017-0155 available by request