H025-0211C Screening compound: 2-methyl-5-[2-(pyridin-4-yl)ethyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-8-carboxylic acid

H025-0211C Screening compound: 2-methyl-5-[2-(pyridin-4-yl)ethyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-8-carboxylic acid
H025-0211C Screening compound: 2-methyl-5-[2-(pyridin-4-yl)ethyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-8-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0211C
2-methyl-5-[2-(pyridin-4-yl)ethyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-8-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

H025-0211C

Molecular Formula

C20H21N3O2 (C20 H21 N3 O2)

Compound Name

2-methyl-5-[2-(pyridin-4-yl)ethyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-8-carboxylic acid

IUPAC name

2-methyl-5-[2-(pyridin-4-yl)ethyl]-1H2H3H4H5H-pyrido[43-b]indole-8-carboxylic acid

SMILES

CN(CC1)Cc2c1n(CCc1ccncc1)c(cc1)c2cc1C(O)=O

InChI

InChI=1S/C20H21N3O2/c1-22-10-7-19-17(13-22)16-12-15(20(24)25)2-3-18(16)23(19)11-6-14-4-8-21-9-5-14/h2-5,8-9,12H,6-7,10-11,13H2,1H3,(H,24,25)

InChI Key

HJSAIEMTRYMFMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214513

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.560

Distribution Coefficient, logD

2.560

Water Solubility, LogSw

-2.24

Polar Surface Area

42.569

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

11.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

H025-0211C in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with H025-0211C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0211C?
Check Price and Availability of H025-0211C, 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 H025-0211C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0211C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0211C
  • 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 H025-0211C available by request