K906-4930 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide

K906-4930 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide
K906-4930 Screening compound: 2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methoxy-5-nitrophenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4930
2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluoro-N-(2-methoxy-5-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

K906-4930

Molecular Formula

C21H15FN4O7S (C21 H15 FN4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H15FN4O7S/c1-33-17-7-6-14(26(29)30)10-16(17)24-34(31,32)18-9-13(22)5-4-12(18)11-25-20(27)15-3-2-8-23-19(15)21(25)28/h2-10,24H,11H2,1H3

InChI Key

YQXRLHMBOBUHLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.44

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.825

Distribution Coefficient, logD

-1.535

Water Solubility, LogSw

-2.86

Polar Surface Area

120.364

Acid Dissociation Constant (pKa)

4.04

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K906-4930 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 K906-4930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4930?
Check Price and Availability of K906-4930, 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 K906-4930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4930
  • 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 K906-4930 available by request