K906-4913 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[2-methyl-1-(thiophen-2-yl)propyl]thiophene-2-sulfonamide

K906-4913 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[2-methyl-1-(thiophen-2-yl)propyl]thiophene-2-sulfonamide
K906-4913 Screening compound: 5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[2-methyl-1-(thiophen-2-yl)propyl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4913
5-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-N-[2-methyl-1-(thiophen-2-yl)propyl]thiophene-2-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

K906-4913

Molecular Formula

C20H19N3O4S3 (C20 H19 N3 O4 S3)

Compound Name

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

IUPAC name

5-({57-dioxo-5H6H7H-pyrrolo[34-b]pyridin-6-yl}methyl)-N-[2-methyl-1-(thiophen-2-yl)propyl]thiophene-2-sulfonamide

SMILES

CC(C)C(c1cccs1)NS(c1ccc(CN(C(c2c3nccc2)=O)C3=O)s1)(=O)=O

InChI

InChI=1S/C20H19N3O4S3/c1-12(2)17(15-6-4-10-28-15)22-30(26,27)16-8-7-13(29-16)11-23-19(24)14-5-3-9-21-18(14)20(23)25/h3-10,12,17,22H,11H2,1-2H3/t17-/m0/s1

InChI Key

CXRFAYNQLATZRR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15113824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-3.03

Polar Surface Area

82.761

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

-4.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

K906-4913 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 K906-4913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4913?
Check Price and Availability of K906-4913, 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 K906-4913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4913
  • 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 K906-4913 available by request