E626-0558 Screening compound: N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide

E626-0558 Screening compound: N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
E626-0558 Screening compound: N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E626-0558
N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][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

E626-0558

Molecular Formula

C24H24ClN5O2S (C24 H24 ClN5 O2 S)

Compound Name

N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)imidazo[21-b][134]thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

COc(cc1)ccc1-c1cn2nc(N(CC3)CCC3C(NCc(cccc3)c3Cl)=O)sc2n1

InChI

InChI=1S/C24H24ClN5O2S/c1-32-19-8-6-16(7-9-19)21-15-30-23(27-21)33-24(28-30)29-12-10-17(11-13-29)22(31)26-14-18-4-2-3-5-20(18)25/h2-9,15,17H,10-14H2,1H3,(H,26,31)

InChI Key

YFWULBBDODUWFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14904924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.761

Distribution Coefficient, logD

4.761

Water Solubility, LogSw

-4.84

Polar Surface Area

56.483

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E626-0558 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 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 E626-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E626-0558?
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What is the minimum amount of E626-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E626-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E626-0558
  • 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 E626-0558 available by request