K906-5311 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzene-1-sulfonamide

K906-5311 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzene-1-sulfonamide
K906-5311 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-5311
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[(4-ethoxyphenyl)methyl]-2-methoxybenzene-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

K906-5311

Molecular Formula

C24H23N3O6S (C24 H23 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(CNS(c(cc(CN(C(c2c3nccc2)=O)C3=O)cc2)c2OC)(=O)=O)cc1

InChI

InChI=1S/C24H23N3O6S/c1-3-33-18-9-6-16(7-10-18)14-26-34(30,31)21-13-17(8-11-20(21)32-2)15-27-23(28)19-5-4-12-25-22(19)24(27)29/h4-13,26H,3,14-15H2,1-2H3

InChI Key

NVKCPLGCDUYPGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.133

Distribution Coefficient, logD

2.133

Water Solubility, LogSw

-3.06

Polar Surface Area

95.913

Acid Dissociation Constant (pKa)

11.11

Base Dissociation Constant (pKb)

-5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K906-5311 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 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
  • 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 K906-5311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-5311?
Check Price and Availability of K906-5311, 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 K906-5311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-5311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-5311
  • 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 K906-5311 available by request