4092-1198 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethoxyphenyl)methyl]amine

4092-1198 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethoxyphenyl)methyl]amine
4092-1198 Screening compound: [(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethoxyphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-1198
[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethoxyphenyl)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

4092-1198

Molecular Formula

C17H19NO4 (C17 H19 NO4)

Compound Name

[(2H-1,3-benzodioxol-5-yl)methyl][(2,5-dimethoxyphenyl)methyl]amine

IUPAC name

[(2H-13-benzodioxol-5-yl)methyl][(25-dimethoxyphenyl)methyl]amine

SMILES

COc(cc1)cc(CNCc(cc2)cc3c2OCO3)c1OC

InChI

InChI=1S/C17H19NO4/c1-19-14-4-6-15(20-2)13(8-14)10-18-9-12-3-5-16-17(7-12)22-11-21-16/h3-8,18H,9-11H2,1-2H3

InChI Key

WNRBNUFQXLAHRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02208692

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

301.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

-1.064

Water Solubility, LogSw

-3.20

Polar Surface Area

44.294

Acid Dissociation Constant (pKa)

26.21

Base Dissociation Constant (pKb)

11.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

4092-1198 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Structure:
  • Pool
Targets:
  • Nuclear receptors
  • Kinases

References: we are preparing a list of scientific research reports with 4092-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-1198?
Check Price and Availability of 4092-1198, 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 4092-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-1198
  • 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 4092-1198 available by request