C498-1501 Screening compound: 3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]benzonitrile

C498-1501 Screening compound: 3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]benzonitrile
C498-1501 Screening compound: 3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-1501
3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]benzonitrile

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

C498-1501

Molecular Formula

C20H17N3 (C20 H17 N3)

Compound Name

3-[(1,2,3,4-tetrahydroacridin-9-yl)amino]benzonitrile

IUPAC name

3-[(1234-tetrahydroacridin-9-yl)amino]benzonitrile

SMILES

N#Cc1cc(Nc2c(CCCC3)c3nc3ccccc23)ccc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-5.03

Polar Surface Area

34.564

Acid Dissociation Constant (pKa)

17.83

Base Dissociation Constant (pKb)

9.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C498-1501 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

BRD4 Targeted Library (4534 compounds)

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

CNS Targets (44014 compounds)

Human Proteases Annotated Library (2868 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Others
  • Nuclear receptors
  • Ion Channels

References: we are preparing a list of scientific research reports with C498-1501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-1501?
Check Price and Availability of C498-1501, 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 C498-1501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-1501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-1501
  • 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 C498-1501 available by request