4964-5102 Screening compound: [2-(3-chlorophenyl)ethyl][(3-ethoxy-4-methoxyphenyl)methyl]amine

4964-5102 Screening compound: [2-(3-chlorophenyl)ethyl][(3-ethoxy-4-methoxyphenyl)methyl]amine
4964-5102 Screening compound: [2-(3-chlorophenyl)ethyl][(3-ethoxy-4-methoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-5102
[2-(3-chlorophenyl)ethyl][(3-ethoxy-4-methoxyphenyl)methyl]amine

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

4964-5102

Molecular Formula

C18H22ClNO2 (C18 H22 ClNO2)

Compound Name

[2-(3-chlorophenyl)ethyl][(3-ethoxy-4-methoxyphenyl)methyl]amine

IUPAC name

[2-(3-chlorophenyl)ethyl][(3-ethoxy-4-methoxyphenyl)methyl]amine

SMILES

CCOc(cc(CNCCc1cccc(Cl)c1)cc1)c1OC

InChI

InChI=1S/C18H22ClNO2/c1-3-22-18-12-15(7-8-17(18)21-2)13-20-10-9-14-5-4-6-16(19)11-14/h4-8,11-12,20H,3,9-10,13H2,1-2H3

InChI Key

JVTOAVINDPWJRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01135865

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

319.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

0.768

Water Solubility, LogSw

-3.24

Polar Surface Area

26.686

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

9.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4964-5102 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 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
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4964-5102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-5102?
Check Price and Availability of 4964-5102, 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 4964-5102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-5102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-5102
  • 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 4964-5102 available by request