E786-2075 Screening compound: N-(2,4-dimethoxyphenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide

E786-2075 Screening compound: N-(2,4-dimethoxyphenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide
E786-2075 Screening compound: N-(2,4-dimethoxyphenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E786-2075
N-(2,4-dimethoxyphenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-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

E786-2075

Molecular Formula

C22H18FN3O6S (C22 H18 FN3 O6 S)

Compound Name

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

IUPAC name

N-(24-dimethoxyphenyl)-2-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide

SMILES

COc(cc1)cc(OC)c1NS(c1c(CN(C(c2c3nccc2)=O)C3=O)ccc(F)c1)(=O)=O

InChI

InChI=1S/C22H18FN3O6S/c1-31-15-7-8-17(18(11-15)32-2)25-33(29,30)19-10-14(23)6-5-13(19)12-26-21(27)16-4-3-9-24-20(16)22(26)28/h3-11,25H,12H2,1-2H3

InChI Key

HNXRVFCVCDGAFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14919090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.854

Distribution Coefficient, logD

0.754

Water Solubility, LogSw

-2.90

Polar Surface Area

94.526

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E786-2075 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 E786-2075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E786-2075?
Check Price and Availability of E786-2075, 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 E786-2075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E786-2075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E786-2075
  • 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 E786-2075 available by request