E226-1060 Screening compound: 1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-6-(4-phenylpiperazine-1-carbonyl)-1H-1,3-benzodiazole

E226-1060 Screening compound: 1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-6-(4-phenylpiperazine-1-carbonyl)-1H-1,3-benzodiazole
E226-1060 Screening compound: 1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-6-(4-phenylpiperazine-1-carbonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E226-1060
1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-6-(4-phenylpiperazine-1-carbonyl)-1H-1,3-benzodiazole

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

E226-1060

Molecular Formula

C27H28N4OS (C27 H28 N4 OS)

Compound Name

1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-6-(4-phenylpiperazine-1-carbonyl)-1H-1,3-benzodiazole

IUPAC name

1-methyl-2-{[(4-methylphenyl)methyl]sulfanyl}-6-(4-phenylpiperazine-1-carbonyl)-1H-13-benzodiazole

SMILES

Cc1ccc(CSc2nc(ccc(C(N(CC3)CCN3c3ccccc3)=O)c3)c3n2C)cc1

InChI

InChI=1S/C27H28N4OS/c1-20-8-10-21(11-9-20)19-33-27-28-24-13-12-22(18-25(24)29(27)2)26(32)31-16-14-30(15-17-31)23-6-4-3-5-7-23/h3-13,18H,14-17,19H2,1-2H3

InChI Key

JUHJPGMLMBFKJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14849685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.849

Distribution Coefficient, logD

4.849

Water Solubility, LogSw

-4.66

Polar Surface Area

31.468

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

E226-1060 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E226-1060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E226-1060?
Check Price and Availability of E226-1060, 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 E226-1060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E226-1060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E226-1060
  • 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 E226-1060 available by request