K906-4719 Screening compound: 6-({4-[(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

K906-4719 Screening compound: 6-({4-[(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
K906-4719 Screening compound: 6-({4-[(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4719
6-({4-[(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)sulfonyl]phenyl}methyl)-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

K906-4719

Molecular Formula

C22H16N4O5S (C22 H16 N4 O5 S)

Compound Name

6-({4-[(3-oxo-1,2,3,4-tetrahydroquinoxalin-1-yl)sulfonyl]phenyl}methyl)-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione

IUPAC name

6-({4-[(3-oxo-1234-tetrahydroquinoxalin-1-yl)sulfonyl]phenyl}methyl)-5H6H7H-pyrrolo[34-b]pyridine-57-dione

SMILES

O=C(c1c2nccc1)N(Cc(cc1)ccc1S(N(C1)c(cccc3)c3NC1=O)(=O)=O)C2=O

InChI

InChI=1S/C22H16N4O5S/c27-19-13-26(18-6-2-1-5-17(18)24-19)32(30,31)15-9-7-14(8-10-15)12-25-21(28)16-4-3-11-23-20(16)22(25)29/h1-11H,12-13H2,(H,24,27)

InChI Key

KRTFUGGDUFBTQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.997

Distribution Coefficient, logD

0.997

Water Solubility, LogSw

-2.66

Polar Surface Area

95.386

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K906-4719 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 K906-4719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4719?
Check Price and Availability of K906-4719, 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 K906-4719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4719
  • 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 K906-4719 available by request