8012-7793 Screening compound: [2-(3,4-dimethoxyphenyl)ethyl][(pyridin-2-yl)methyl]amine

8012-7793 Screening compound: [2-(3,4-dimethoxyphenyl)ethyl][(pyridin-2-yl)methyl]amine
8012-7793 Screening compound: [2-(3,4-dimethoxyphenyl)ethyl][(pyridin-2-yl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7793
[2-(3,4-dimethoxyphenyl)ethyl][(pyridin-2-yl)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

8012-7793

Molecular Formula

C16H20N2O2 (C16 H20 N2 O2)

Compound Name

[2-(3,4-dimethoxyphenyl)ethyl][(pyridin-2-yl)methyl]amine

IUPAC name

[2-(34-dimethoxyphenyl)ethyl][(pyridin-2-yl)methyl]amine

SMILES

COc(ccc(CCNCc1ncccc1)c1)c1OC

InChI

InChI=1S/C16H20N2O2/c1-19-15-7-6-13(11-16(15)20-2)8-10-17-12-14-5-3-4-9-18-14/h3-7,9,11,17H,8,10,12H2,1-2H3

InChI Key

CQTDNMZLCFJYDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01135628

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.166

Distribution Coefficient, logD

0.414

Water Solubility, LogSw

-1.75

Polar Surface Area

36.650

Acid Dissociation Constant (pKa)

26.15

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8012-7793 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8012-7793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7793?
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What is the minimum amount of 8012-7793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7793
  • 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 8012-7793 available by request