K906-5308 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzene-1-sulfonamide

K906-5308 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzene-1-sulfonamide
K906-5308 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-2-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-5308
N-[(2,5-dimethoxyphenyl)methyl]-5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}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

K906-5308

Molecular Formula

C24H23N3O7S (C24 H23 N3 O7 S)

Compound Name

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

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-2-methoxybenzene-1-sulfonamide

SMILES

COc(cc1)cc(CNS(c(cc(CN(C(c2c3nccc2)=O)C3=O)cc2)c2OC)(=O)=O)c1OC

InChI

InChI=1S/C24H23N3O7S/c1-32-17-7-9-19(33-2)16(12-17)13-26-35(30,31)21-11-15(6-8-20(21)34-3)14-27-23(28)18-5-4-10-25-22(18)24(27)29/h4-12,26H,13-14H2,1-3H3

InChI Key

PSAJUFQJAIKSBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.910

Distribution Coefficient, logD

1.910

Water Solubility, LogSw

-2.98

Polar Surface Area

103.963

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K906-5308 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
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 K906-5308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-5308?
Check Price and Availability of K906-5308, 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 K906-5308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-5308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-5308
  • 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 K906-5308 available by request