K082-0004 Screening compound: 1-(3,4-dimethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

K082-0004 Screening compound: 1-(3,4-dimethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
K082-0004 Screening compound: 1-(3,4-dimethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K082-0004
1-(3,4-dimethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

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

K082-0004

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

1-(3,4-dimethoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

IUPAC name

1-(34-dimethoxyphenyl)-1H2H3H4H9H-pyrido[34-b]indole-3-carboxylic acid

SMILES

COc(ccc(C(c1c(C2)c(cccc3)c3[nH]1)NC2C(O)=O)c1)c1OC

InChI

InChI=1S/C20H20N2O4/c1-25-16-8-7-11(9-17(16)26-2)18-19-13(10-15(22-18)20(23)24)12-5-3-4-6-14(12)21-19/h3-9,15,18,21-22H,10H2,1-2H3,(H,23,24)

InChI Key

JLKKXFLIQLNLAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00369143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.660

Distribution Coefficient, logD

-0.875

Water Solubility, LogSw

-2.24

Polar Surface Area

66.468

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

8.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

K082-0004 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with K082-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K082-0004?
Check Price and Availability of K082-0004, 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 K082-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K082-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K082-0004
  • 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 K082-0004 available by request