E912-0269 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzene-1-sulfonamide

E912-0269 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzene-1-sulfonamide
E912-0269 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E912-0269
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzene-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

E912-0269

Molecular Formula

C23H21N3O6S (C23 H21 N3 O6 S)

Compound Name

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

IUPAC name

5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-2-methoxy-N-[(4-methoxyphenyl)methyl]benzene-1-sulfonamide

SMILES

COc1ccc(CNS(c(cc(CN(C(c2c3nccc2)=O)C3=O)cc2)c2OC)(=O)=O)cc1

InChI

InChI=1S/C23H21N3O6S/c1-31-17-8-5-15(6-9-17)13-25-33(29,30)20-12-16(7-10-19(20)32-2)14-26-22(27)18-4-3-11-24-21(18)23(26)28/h3-12,25H,13-14H2,1-2H3

InChI Key

JMIWJOQFEIWONN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.746

Distribution Coefficient, logD

1.746

Water Solubility, LogSw

-2.76

Polar Surface Area

96.333

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E912-0269 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS targets activity set (6557 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Cardiovascular
  • Metabolic
  • Digestive system
  • Nervous system
Targets:
  • Proteases
  • GPCR
Structure:
  • Pool
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E912-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E912-0269?
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What is the minimum amount of E912-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E912-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E912-0269
  • 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 E912-0269 available by request