K828-0139 Screening compound: 6-(2,3-DIHYDRO-1H-INDOL-1-YLSULFONYL)-N-(2-METHOXYETHYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDE

K828-0139 Screening compound: 6-(2,3-DIHYDRO-1H-INDOL-1-YLSULFONYL)-N-(2-METHOXYETHYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDE
K828-0139 Screening compound: 6-(2,3-DIHYDRO-1H-INDOL-1-YLSULFONYL)-N-(2-METHOXYETHYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K828-0139
6-(2,3-DIHYDRO-1H-INDOL-1-YLSULFONYL)-N-(2-METHOXYETHYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDE

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

K828-0139

Molecular Formula

C21H21N3O5S (C21 H21 N3 O5 S)

Compound Name

6-(2,3-DIHYDRO-1H-INDOL-1-YLSULFONYL)-N-(2-METHOXYETHYL)-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDE

IUPAC name

n/a

SMILES

COCCNC(C1=CNc(ccc(S(N(CC2)c3c2cccc3)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C21H21N3O5S/c1-29-11-9-22-21(26)17-13-23-18-7-6-15(12-16(18)20(17)25)30(27,28)24-10-8-14-4-2-3-5-19(14)24/h2-7,12-13H,8-11H2,1H3,(H,22,26)(H,23,25)

InChI Key

QDXFZLLDEBIIIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.757

Distribution Coefficient, logD

0.696

Water Solubility, LogSw

-2.91

Polar Surface Area

88.745

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

K828-0139 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K828-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K828-0139?
Check Price and Availability of K828-0139, 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 K828-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K828-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K828-0139
  • 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 K828-0139 available by request