8013-3957 Screening compound: 6-(2-ethoxyphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

8013-3957 Screening compound: 6-(2-ethoxyphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
8013-3957 Screening compound: 6-(2-ethoxyphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3957
6-(2-ethoxyphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

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

8013-3957

Molecular Formula

C15H12N2O3 (C15 H12 N2 O3)

Compound Name

6-(2-ethoxyphenyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

IUPAC name

6-(2-ethoxyphenyl)-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

CCOc(cccc1)c1N(C(c1cccnc11)=O)C1=O

InChI

InChI=1S/C15H12N2O3/c1-2-20-12-8-4-3-7-11(12)17-14(18)10-6-5-9-16-13(10)15(17)19/h3-9H,2H2,1H3

InChI Key

ULNNOQSNWGXTDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03369569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.221

Distribution Coefficient, logD

1.221

Water Solubility, LogSw

-2.09

Polar Surface Area

45.698

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8013-3957 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-3957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3957?
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What is the minimum amount of 8013-3957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3957
  • 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 8013-3957 available by request