K082-0002 Screening compound: 1-(2-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

K082-0002 Screening compound: 1-(2-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
K082-0002 Screening compound: 1-(2-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K082-0002
1-(2-methoxyphenyl)-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

K082-0002

Molecular Formula

C19H18N2O3 (C19 H18 N2 O3)

Compound Name

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

IUPAC name

1-(2-methoxyphenyl)-1H2H3H4H9H-pyrido[34-b]indole-3-carboxylic acid

SMILES

COc1c(C(c2c(C3)c(cccc4)c4[nH]2)NC3C(O)=O)cccc1

InChI

InChI=1S/C19H18N2O3/c1-24-16-9-5-3-7-12(16)17-18-13(10-15(21-17)19(22)23)11-6-2-4-8-14(11)20-18/h2-9,15,17,20-21H,10H2,1H3,(H,22,23)

InChI Key

GNWJPUGGMNOAHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00477400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.129

Distribution Coefficient, logD

-0.406

Water Solubility, LogSw

-2.72

Polar Surface Area

58.838

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.10

K082-0002 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K082-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K082-0002?
Check Price and Availability of K082-0002, 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 K082-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K082-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K082-0002
  • 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 K082-0002 available by request