4161-2530 Screening compound: 9-(benzyloxy)-1,2,3,4-tetrahydroacridine

4161-2530 Screening compound: 9-(benzyloxy)-1,2,3,4-tetrahydroacridine
4161-2530 Screening compound: 9-(benzyloxy)-1,2,3,4-tetrahydroacridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4161-2530
9-(benzyloxy)-1,2,3,4-tetrahydroacridine

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

4161-2530

Molecular Formula

C20H19NO (C20 H19 NO)

Compound Name

9-(benzyloxy)-1,2,3,4-tetrahydroacridine

IUPAC name

9-(benzyloxy)-1234-tetrahydroacridine

SMILES

C(c1ccccc1)Oc1c(CCCC2)c2nc2ccccc12

InChI

InChI=1S/C20H19NO/c1-2-8-15(9-3-1)14-22-20-16-10-4-6-12-18(16)21-19-13-7-5-11-17(19)20/h1-4,6,8-10,12H,5,7,11,13-14H2

InChI Key

IUXHPYSLCKUSPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02766442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.183

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-5.74

Polar Surface Area

17.391

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4161-2530 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CNS BBB Library (22607 compounds)

GABA Library (7115 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Eye
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4161-2530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4161-2530?
Check Price and Availability of 4161-2530, 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 4161-2530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4161-2530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4161-2530
  • 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 4161-2530 available by request