E017-0609 Screening compound: 1-(5-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one

E017-0609 Screening compound: 1-(5-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
E017-0609 Screening compound: 1-(5-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl}-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E017-0609
1-(5-{2-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrrolidin-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

E017-0609

Molecular Formula

C20H25N7O2S (C20 H25 N7 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)N1c1nnc(N(CCC2)C2=O)s1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C20H25N7O2S/c28-17-7-4-10-27(17)20-23-22-19(30-20)26-9-3-5-15(26)18(29)25-13-11-24(12-14-25)16-6-1-2-8-21-16/h1-2,6,8,15H,3-5,7,9-14H2/t15-/m0/s1

InChI Key

RGOWWMOPWFIIFL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14839020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.813

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-2.14

Polar Surface Area

72.121

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

E017-0609 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E017-0609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E017-0609?
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What is the minimum amount of E017-0609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E017-0609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E017-0609
  • 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 E017-0609 available by request