H025-0408C Screening compound: 2-methyl-5-[2-(pyridin-2-yl)ethyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-8-carbonitrile

H025-0408C Screening compound: 2-methyl-5-[2-(pyridin-2-yl)ethyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-8-carbonitrile
H025-0408C Screening compound: 2-methyl-5-[2-(pyridin-2-yl)ethyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-8-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0408C
2-methyl-5-[2-(pyridin-2-yl)ethyl]-1H,2H,3H,4H,5H-pyrido[4,3-b]indole-8-carbonitrile

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

H025-0408C

Molecular Formula

C20H20N4 (C20 H20 N4)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)Cc2c1n(CCc1ncccc1)c(cc1)c2cc1C#N

InChI

InChI=1S/C20H20N4/c1-23-10-8-20-18(14-23)17-12-15(13-21)5-6-19(17)24(20)11-7-16-4-2-3-9-22-16/h2-6,9,12H,7-8,10-11,14H2,1H3

InChI Key

YRIQXMPDJZLBBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27214599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

-1.057

Water Solubility, LogSw

-2.74

Polar Surface Area

31.332

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

11.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

H025-0408C in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with H025-0408C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0408C?
Check Price and Availability of H025-0408C, 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 H025-0408C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0408C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0408C
  • 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 H025-0408C available by request