E786-2067 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide

E786-2067 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide
E786-2067 Screening compound: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2067
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide

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

E786-2067

Molecular Formula

C22H19N3O6S2 (C22 H19 N3 O6 S2)

Compound Name

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]-5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)thiophene-2-sulfonamide

SMILES

CC(c(cc1)cc2c1OCCO2)NS(c1ccc(CN(C(c2c3nccc2)=O)C3=O)s1)(=O)=O

InChI

InChI=1S/C22H19N3O6S2/c1-13(14-4-6-17-18(11-14)31-10-9-30-17)24-33(28,29)19-7-5-15(32-19)12-25-21(26)16-3-2-8-23-20(16)22(25)27/h2-8,11,13,24H,9-10,12H2,1H3/t13-/m0/s1

InChI Key

HNUMODMDGGKGTA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14919085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.327

Distribution Coefficient, logD

1.327

Water Solubility, LogSw

-2.64

Polar Surface Area

97.377

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

E786-2067 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E786-2067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2067?
Check Price and Availability of E786-2067, 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 E786-2067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2067
  • 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 E786-2067 available by request