E958-0220 Screening compound: N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

E958-0220 Screening compound: N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
E958-0220 Screening compound: N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E958-0220
N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]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

E958-0220

Molecular Formula

C25H33N7OS (C25 H33 N7 OS)

Compound Name

N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

IUPAC name

N-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-1-[5-(1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

CCN1CCN(Cc(cc2)ccc2NC(C(CC2)CCN2c2nnc(-n3cccc3)s2)=O)CC1

InChI

InChI=1S/C25H33N7OS/c1-2-29-15-17-30(18-16-29)19-20-5-7-22(8-6-20)26-23(33)21-9-13-32(14-10-21)25-28-27-24(34-25)31-11-3-4-12-31/h3-8,11-12,21H,2,9-10,13-19H2,1H3,(H,26,33)

InChI Key

QEKRVAKOQXAIGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14932622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.824

Distribution Coefficient, logD

1.892

Water Solubility, LogSw

-3.15

Polar Surface Area

61.171

Acid Dissociation Constant (pKa)

11.50

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

E958-0220 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E958-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E958-0220?
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What is the minimum amount of E958-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E958-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E958-0220
  • 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 E958-0220 available by request