K906-4925 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methyl-3-nitrophenyl)benzene-1-sulfonamide

K906-4925 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methyl-3-nitrophenyl)benzene-1-sulfonamide
K906-4925 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methyl-3-nitrophenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4925
2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methyl-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

K906-4925

Molecular Formula

C21H15FN4O6S (C21 H15 FN4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c([N+]([O-])=O)ccc1)c1NS(c1c(CN(C(c2c3nccc2)=O)C3=O)ccc(F)c1)(=O)=O

InChI

InChI=1S/C21H15FN4O6S/c1-12-16(5-2-6-17(12)26(29)30)24-33(31,32)18-10-14(22)8-7-13(18)11-25-20(27)15-4-3-9-23-19(15)21(25)28/h2-10,24H,11H2,1H3

InChI Key

XEVLYWMGTBUNEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.44

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

2.178

Distribution Coefficient, logD

0.022

Water Solubility, LogSw

-3.12

Polar Surface Area

112.433

Acid Dissociation Constant (pKa)

5.25

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K906-4925 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 K906-4925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4925?
Check Price and Availability of K906-4925, 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 K906-4925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4925
  • 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 K906-4925 available by request