E017-0027 Screening compound: 1-{5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one

E017-0027 Screening compound: 1-{5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one
E017-0027 Screening compound: 1-{5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E017-0027
1-{5-[4-(4-methylpiperazine-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

E017-0027

Molecular Formula

C17H26N6O2S (C17 H26 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C(C(CC1)CCN1c1nnc(N(CCC2)C2=O)s1)=O

InChI

InChI=1S/C17H26N6O2S/c1-20-9-11-21(12-10-20)15(25)13-4-7-22(8-5-13)16-18-19-17(26-16)23-6-2-3-14(23)24/h13H,2-12H2,1H3

InChI Key

IVBOOJOHPFOVAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27597352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.762

Distribution Coefficient, logD

0.414

Water Solubility, LogSw

-1.02

Polar Surface Area

63.766

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.50

E017-0027 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E017-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E017-0027?
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What is the minimum amount of E017-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E017-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E017-0027
  • 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 E017-0027 available by request