E017-0021 Screening compound: 1-(5-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

E017-0021 Screening compound: 1-(5-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
E017-0021 Screening compound: 1-(5-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E017-0021
1-(5-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

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

E017-0021

Molecular Formula

C23H29ClN6O2S (C23 H29 ClN6 O2 S)

Compound Name

1-(5-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

IUPAC name

1-(5-{4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl}-134-thiadiazol-2-yl)pyrrolidin-2-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(C(CC1)CCN1c1nnc(N(CCC2)C2=O)s1)=O

InChI

InChI=1S/C23H29ClN6O2S/c1-16-4-5-18(24)15-19(16)27-11-13-28(14-12-27)21(32)17-6-9-29(10-7-17)22-25-26-23(33-22)30-8-2-3-20(30)31/h4-5,15,17H,2-3,6-14H2,1H3

InChI Key

LEYCIJNQGVSETO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14838840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.30

Polar Surface Area

63.249

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

E017-0021 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with E017-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E017-0021?
Check Price and Availability of E017-0021, 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 E017-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E017-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E017-0021
  • 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 E017-0021 available by request