E783-0079 Screening compound: 8-[(4-benzylpiperazin-1-yl)sulfonyl]-1-methyl-1H,4H-chromeno[3,4-d]imidazol-4-one

E783-0079 Screening compound: 8-[(4-benzylpiperazin-1-yl)sulfonyl]-1-methyl-1H,4H-chromeno[3,4-d]imidazol-4-one
E783-0079 Screening compound: 8-[(4-benzylpiperazin-1-yl)sulfonyl]-1-methyl-1H,4H-chromeno[3,4-d]imidazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E783-0079
8-[(4-benzylpiperazin-1-yl)sulfonyl]-1-methyl-1H,4H-chromeno[3,4-d]imidazol-4-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

E783-0079

Molecular Formula

C22H22N4O4S (C22 H22 N4 O4 S)

Compound Name

8-[(4-benzylpiperazin-1-yl)sulfonyl]-1-methyl-1H,4H-chromeno[3,4-d]imidazol-4-one

IUPAC name

8-[(4-benzylpiperazin-1-yl)sulfonyl]-1-methyl-1H4H-chromeno[34-d]imidazol-4-one

SMILES

Cn1c(-c(cc(cc2)S(N3CCN(Cc4ccccc4)CC3)(=O)=O)c2OC2=O)c2nc1

InChI

InChI=1S/C22H22N4O4S/c1-24-15-23-20-21(24)18-13-17(7-8-19(18)30-22(20)27)31(28,29)26-11-9-25(10-12-26)14-16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3

InChI Key

RYRLQBHNVHRUOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.960

Distribution Coefficient, logD

1.953

Water Solubility, LogSw

-3.01

Polar Surface Area

68.165

Acid Dissociation Constant (pKa)

26.20

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E783-0079 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E783-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E783-0079?
Check Price and Availability of E783-0079, 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 E783-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E783-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E783-0079
  • 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 E783-0079 available by request