K906-4926 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(4-fluoro-3-nitrophenyl)benzene-1-sulfonamide

K906-4926 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(4-fluoro-3-nitrophenyl)benzene-1-sulfonamide
K906-4926 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(4-fluoro-3-nitrophenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4926
2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(4-fluoro-3-nitrophenyl)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

K906-4926

Molecular Formula

C20H12F2N4O6S (C20 H12 F2 N4 O6 S)

Compound Name

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

IUPAC name

2-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-5-fluoro-N-(4-fluoro-3-nitrophenyl)benzene-1-sulfonamide

SMILES

[O-][N+](c(cc(cc1)NS(c2c(CN(C(c3c4nccc3)=O)C4=O)ccc(F)c2)(=O)=O)c1F)=O

InChI

InChI=1S/C20H12F2N4O6S/c21-12-4-3-11(10-25-19(27)14-2-1-7-23-18(14)20(25)28)17(8-12)33(31,32)24-13-5-6-15(22)16(9-13)26(29)30/h1-9,24H,10H2

InChI Key

JJTCGEJFGZXECI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.4

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.022

Distribution Coefficient, logD

-1.689

Water Solubility, LogSw

-3.12

Polar Surface Area

113.131

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

K906-4926 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K906-4926 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4926?
Check Price and Availability of K906-4926, 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 K906-4926 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4926
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4926
  • 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 K906-4926 available by request