K906-4931 Screening compound: N-(3,4-dichlorophenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide

K906-4931 Screening compound: N-(3,4-dichlorophenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide
K906-4931 Screening compound: N-(3,4-dichlorophenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-4931
N-(3,4-dichlorophenyl)-2-({5,7-dioxo-5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}methyl)-5-fluorobenzene-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

K906-4931

Molecular Formula

C20H12Cl2FN3O4S (C20 H12 Cl2 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c2nccc1)N(Cc(ccc(F)c1)c1S(Nc(cc1)cc(Cl)c1Cl)(=O)=O)C2=O

InChI

InChI=1S/C20H12Cl2FN3O4S/c21-15-6-5-13(9-16(15)22)25-31(29,30)17-8-12(23)4-3-11(17)10-26-19(27)14-2-1-7-24-18(14)20(26)28/h1-9,25H,10H2

InChI Key

HKCMHCJWOBFEIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15113840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.537

Distribution Coefficient, logD

0.567

Water Solubility, LogSw

-3.95

Polar Surface Area

80.050

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

K906-4931 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 K906-4931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-4931?
Check Price and Availability of K906-4931, 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 K906-4931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-4931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-4931
  • 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 K906-4931 available by request